Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
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Herb: 12Ingredient: 1Reference: 3Target: 12Links: 27
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 5887
- Core Entity Id
- 9729
- Source Entity Count
- 1
- Preferred Name
- P-coumaric acid
- Name En
- Pubchem Id
- 448496
- Smiles Canonical
- C1=CC(=CC=C1C=CC(=O)O)O
- Molecular Formula
- C9H8O3
- Molecular Weight
- 164.1600
- Inchikey
- NGSWKAQJJWESNS-ZZXKWVIFSA-N
- Inchi
- InChI=1S/C9H8O3/c10-8-4-1-7(2-5-8)3-6-9(11)12/h1-6,10H,(H,11,12)/b6-3+
- Isomeric Smiles
- C1=CC(=CC=C1/C=C/C(=O)O)O
- Cas Id
- 7400-08-0
- Ob Score
- 43.2900
- Mol Logp
- 1.4900
- Num H Donors
- 2
- Num H Acceptors
- 2
- Num Rotatable Bonds
- 2
- Drug Likeness
- 0.6510
- Polar Surface Area
- 57.5300
- Molecular Volume
- 124.1600
- Alogp
- 1.6850
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
4-Coumaric Acid
Role
Molecule_name
Source
SymMap_v2
Preferred
Yes
Name
4-Hydroxy Cinnamic Acid
Role
Molecule_name
Source
SymMap_v2
Preferred
Yes
Name
Trans-P-Coumaric Acid
Role
Molecule_name
Source
SymMap_v2
Preferred
Yes
Name
4-Coumaric Acid
Role
preferred
Source
SymMap_v2
Preferred
Yes
Name
4-Hydroxy Cinnamic Acid
Role
preferred
Source
SymMap_v2
Preferred
Yes
Name
4-coumaric acid
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
4-coumaric acid
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
4-hydroxy cinnamic acid;trans- p- hydroxy cinnamic acid;trans-p-coumaric acid;p-cumaric acid;4-coumaric acid;P-hydroxy- cinnamic acid;Hydroxycinnamic acid
Role
preferred
Source
TCMBank
Preferred
Yes
Name
P-Coumaric Acid
Role
preferred
Source
SymMap_v2
Preferred
Yes
Name
P-coumaric acid
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
P-coumaric acid
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
Trans-P-Coumaric Acid
Role
preferred
Source
SymMap_v2
Preferred
Yes
Name
Trans-p-coumaric acid
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
Trans-p-coumaric acid
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
p-Coumaric acid
Role
preferred
Source
TCMBank
Preferred
Yes
Name
p-Coumaric acid
Role
preferred
Source
ETCM_v2
Preferred
Yes
Name
人蔘
Role
TCM_name
Source
TCMBank
Preferred
No
Name
糖菾菜;云南草蔻;假百合;柠檬;木贼麻黄;紫丁香;南非菟丝子;木贼麻黄;梓白皮;黄瓜;梓白皮;红车轴草;备玄参;芦荟(库拉索芦荟);斑纹桉;马铃薯;斑纹桉;台湾芙蓉
Role
TCM_name
Source
TCMBank
Preferred
No
Name
TANG TIAN CAI;YUN NAN CAO KOU;JIA BAI HE;NING MENG;JIA BAI HE;NAN FANG TU SI ZI;DA CHE QIAN;YE HEI YING;BEI YE JU;ZI DING XIANG;CI GUO FAN LI ZHI;RI BEN HUANG BAI;HAI JIN SHA;XUAN FU HUA;GUAN MU TONG;XUAN FU HUA;MA LING SHU;DA CHE QIAN;CI GUO FAN LI ZHI;LU HUI;Occurs in many plants;NING MENG;MU ZEI MA HUANG;ZI DING XIANG;NAN FANG TU SI ZI;MU ZEI MA HUANG;ZI BAI PI;HUANG GUA;ZI BAI PI;HONG CHE ZHOU CAO;BEI XUAN SHEN;LU HUI;BAN WEN AN;MA LING SHU;BAN WEN AN;TAI WAN FU RONG
Role
TCM_name2
Source
TCMBank
Preferred
No
Name
Panax ginseng
Role
TCM_name_en
Source
TCMBank
Preferred
No
Name
Yunnan Galangal2021/11/21Hyacinth Falselily;Lemon;Hyacinth FaIseIiIy;South Dodder Seed;Rippleseed Plantain;Wild Rum-cherry;Boreal Wild Chrysanthemum;Early Lilac;Guanabana;Japan Corktree*;Japanese Climbing Fern;Manchurian Dutchmanspipe;Guanabana;Kulaso Aloe Dried Juice;Lemon;Mongolian Ephedra;EarIy LiIac;South Dodder Seed;Mongolian Ephedra;Ovate Catalpa Bast;Cucumber;Ovate Catalpa Bast;Red Clover;Buerger Figwort;Kulaso Aloe Dried Juice;Spotted Gum;Potato;Spotted Gum;Taiwan Hibiscus
Role
TCM_name_en
Source
TCMBank
Preferred
No
Name
(2E)-3-(4-Hydroxyphenyl)-2-propenoic acid
Role
alias
Source
SymMap_v2
Preferred
No
Name
(2E)-3-(4-Hydroxyphenyl)-2-propenoic acid
Role
alias
Source
TCMBank
Preferred
No
Name
(2E)-3-(4-hydroxyphenyl)acrylate
Role
alias
Source
TCMBank
Preferred
No
Name
(2E)-3-(4-hydroxyphenyl)acrylic acid
Role
alias
Source
SymMap_v2
Preferred
No
Name
(2E)-3-(4-hydroxyphenyl)acrylic acid
Role
alias
Source
TCMBank
Preferred
No
Name
(2E)-3-(4-hydroxyphenyl)prop-2-enoate
Role
alias
Source
TCMBank
Preferred
No
Name
(2E)-3-(4-hydroxyphenyl)prop-2-enoic acid
Role
alias
Source
TCMBank
Preferred
No
Name
(2E)-3-(4-hydroxyphenyl)prop-2-enoic acid
Role
alias
Source
SymMap_v2
Preferred
No
Name
(E)-3-(4-Hydroxyphenyl)-2-propenoic acid
Role
alias
Source
SymMap_v2
Preferred
No
Name
(E)-3-(4-Hydroxyphenyl)-2-propenoic acid
Role
alias
Source
TCMBank
Preferred
No
Name
(E)-3-(4-Hydroxyphenyl)acrylic acid
Role
alias
Source
TCMBank
Preferred
No
Name
(E)-3-(4-Hydroxyphenyl)acrylic acid
Role
alias
Source
SymMap_v2
Preferred
No
Name
(E)-3-(4-hydroxyphenyl)-2-propenoate
Role
alias
Source
TCMBank
Preferred
No
Name
(E)-3-(4-hydroxyphenyl)prop-2-enoate
Role
alias
Source
TCMBank
Preferred
No
Name
(E)-3-(4-hydroxyphenyl)prop-2-enoic acid
Role
alias
Source
SymMap_v2
Preferred
No
Name
(E)-3-(4-hydroxyphenyl)prop-2-enoic acid
Role
alias
Source
TCMBank
Preferred
No
Name
(E)-4-hydroxycinnamic acid
Role
alias
Source
SymMap_v2
Preferred
No
Name
(E)-4-hydroxycinnamic acid
Role
alias
Source
TCMBank
Preferred
No
Name
(E)-p-Coumaric acid
Role
alias
Source
SymMap_v2
Preferred
No
Name
(E)-p-Coumaric acid
Role
alias
Source
TCMBank
Preferred
No
Name
(E)-p-Hydroxycinnamic acid
Role
alias
Source
SymMap_v2
Preferred
No
Name
(E)-p-Hydroxycinnamic acid
Role
alias
Source
TCMBank
Preferred
No
Name
0-10-00-00297 (Beilstein Handbook Reference)
Role
alias
Source
TCMBank
Preferred
No
Name
0-10-00-00297 (Beilstein Handbook Reference)
Role
alias
Source
SymMap_v2
Preferred
No
Name
0C1BFF2D-2CF7-4FC1-9F76-3268C2C7F783
Role
alias
Source
TCMBank
Preferred
No
Name
0C1BFF2D-2CF7-4FC1-9F76-3268C2C7F783
Role
alias
Source
SymMap_v2
Preferred
No
Name
2-Propenoic acid, 3-(4-hydroxyphenyl)-
Role
alias
Source
SymMap_v2
Preferred
No
Name
2-Propenoic acid, 3-(4-hydroxyphenyl)-
Role
alias
Source
TCMBank
Preferred
No
Name
2-Propenoic acid, 3-(4-hydroxyphenyl)-, (E)-
Role
alias
Source
TCMBank
Preferred
No
Name
2-Propenoic acid, 3-(4-hydroxyphenyl)-, (E)-
Role
alias
Source
SymMap_v2
Preferred
No
Name
2-Propenoic acid, 3-(4-hydroxyphenyl)-, (E)- (9CI)
Role
alias
Source
SymMap_v2
Preferred
No
Name
2-Propenoic acid, 3-(4-hydroxyphenyl)-, (E)- (9CI)
Role
alias
Source
TCMBank
Preferred
No
Name
2-Propenoic acid, 3-(4-hydroxyphenyl)-, (Z)-
Role
alias
Source
SymMap_v2
Preferred
No
Name
2-Propenoic acid, 3-(4-hydroxyphenyl)-, (Z)-
Role
alias
Source
TCMBank
Preferred
No
Name
2-Propenoic acid, 3-(4-hydroxyphenyl)-, homopolymer
Role
alias
Source
TCMBank
Preferred
No
Name
2-Propenoic acid, 3-(4-hydroxyphenyl)-, homopolymer
Role
alias
Source
SymMap_v2
Preferred
No
Name
2-propenoic acid, 3-(4-hydroxyphenyl)-, (2E)-
Role
alias
Source
TCMBank
Preferred
No
Name
2-propenoic acid, 3-(4-hydroxyphenyl)-, (2E)-
Role
alias
Source
SymMap_v2
Preferred
No
Name
28200_FLUKA
Role
alias
Source
TCMBank
Preferred
No
Name
3-(4-Hydroxyphenyl)-2-propenoate
Role
alias
Source
SymMap_v2
Preferred
No
Name
3-(4-Hydroxyphenyl)-2-propenoate
Role
alias
Source
TCMBank
Preferred
No
Name
3-(4-Hydroxyphenyl)-2-propenoic acid
Role
alias
Source
SymMap_v2
Preferred
No
Name
3-(4-Hydroxyphenyl)-2-propenoic acid
Role
alias
Source
TCMBank
Preferred
No
Name
3-(4-hydroxyphenyl)acrylate
Role
alias
Source
TCMBank
Preferred
No
Name
3-(4-hydroxyphenyl)acrylate
Role
alias
Source
SymMap_v2
Preferred
No
Name
3-(4-hydroxyphenyl)acrylic acid
Role
alias
Source
SymMap_v2
Preferred
No
Name
3-(4-hydroxyphenyl)acrylic acid
Role
alias
Source
TCMBank
Preferred
No
Name
3-(4-hydroxyphenyl)prop-2-enoate
Role
alias
Source
TCMBank
Preferred
No
Name
3-(4-hydroxyphenyl)prop-2-enoic acid
Role
alias
Source
TCMBank
Preferred
No
Name
3-(4-hydroxyphenyl)prop-2-enoic acid
Role
alias
Source
SymMap_v2
Preferred
No
Name
4'-Hydroxycinnamic acid
Role
alias
Source
TCMBank
Preferred
No
Name
4-(2-Carboxyethenyl)phenolate
Role
alias
Source
TCMBank
Preferred
No
Name
4-10-00-01005 (Beilstein Handbook Reference)
Role
alias
Source
SymMap_v2
Preferred
No
Name
4-10-00-01005 (Beilstein Handbook Reference)
Role
alias
Source
TCMBank
Preferred
No
Name
4-Coumaric acid
Role
alias
Source
SymMap_v2
Preferred
No
Name
4-Coumaric acid
Role
alias
Source
TCMBank
Preferred
No
Name
4-Coumaric acid
Role
alias
Source
itcmdb_public
Preferred
No
Name
4-Coumaric acid
Role
alias
Source
HERB_v2
Preferred
No
Name
4-Hydroxycinamic acid
Role
alias
Source
SymMap_v2
Preferred
No
Name
4-Hydroxycinamic acid
Role
alias
Source
TCMBank
Preferred
No
Name
4-Hydroxycinnamate
Role
alias
Source
TCMBank
Preferred
No
Name
4-Hydroxycinnamate
Role
alias
Source
SymMap_v2
Preferred
No
Name
4-Hydroxycinnamic acid
Role
alias
Source
itcmdb_public
Preferred
No
Name
4-Hydroxycinnamic acid
Role
alias
Source
HERB_v2
Preferred
No
Name
4-Hydroxycinnamic acid
Role
alias
Source
SymMap_v2
Preferred
No
Name
4-Hydroxyphenylpropenoate
Role
alias
Source
TCMBank
Preferred
No
Name
4-Hydroxyphenylpropenoate
Role
alias
Source
SymMap_v2
Preferred
No
Name
4-Oxylatocinnamate
Role
alias
Source
TCMBank
Preferred
No
Name
4-coumarate
Role
alias
Source
SymMap_v2
Preferred
No
Name
4-coumarate
Role
alias
Source
TCMBank
Preferred
No
Name
4-coumaric acid, (E)-isomer
Role
alias
Source
SymMap_v2
Preferred
No
Name
4-coumaric acid, (E)-isomer
Role
alias
Source
TCMBank
Preferred
No
Name
4-hydroxycinnamate anion
Role
alias
Source
TCMBank
Preferred
No
Name
400H080
Role
alias
Source
TCMBank
Preferred
No
Name
400H080
Role
alias
Source
SymMap_v2
Preferred
No
Name
4CN-0926
Role
alias
Source
SymMap_v2
Preferred
No
Name
4CN-0926
Role
alias
Source
TCMBank
Preferred
No
Name
4f8j
Role
alias
Source
SymMap_v2
Preferred
No
Name
4f8j
Role
alias
Source
TCMBank
Preferred
No
Name
4qem
Role
alias
Source
SymMap_v2
Preferred
No
Name
4qem
Role
alias
Source
TCMBank
Preferred
No
Name
501-98-4
Role
alias
Source
TCMBank
Preferred
No
Name
501-98-4
Role
alias
Source
itcmdb_public
Preferred
No
Name
501-98-4
Role
alias
Source
SymMap_v2
Preferred
No
Name
501-98-4
Role
alias
Source
HERB_v2
Preferred
No
Name
50940-26-6
Role
alias
Source
TCMBank
Preferred
No
Name
50940-26-6
Role
alias
Source
SymMap_v2
Preferred
No
Name
7400-08-0
Role
alias
Source
HERB_v2
Preferred
No
Name
7400-08-0
Role
alias
Source
itcmdb_public
Preferred
No
Name
7400-08-0
Role
alias
Source
TCMBank
Preferred
No
Name
7400-08-0
Role
alias
Source
SymMap_v2
Preferred
No
Name
A828008
Role
alias
Source
TCMBank
Preferred
No
Name
AC-10318
Role
alias
Source
SymMap_v2
Preferred
No
Name
AC-10318
Role
alias
Source
TCMBank
Preferred
No
Name
AC1LCUFZ
Role
alias
Source
TCMBank
Preferred
No
Name
AC1LCUFZ
Role
alias
Source
SymMap_v2
Preferred
No
Name
AC1NRBN2
Role
alias
Source
TCMBank
Preferred
No
Name
AC1Q5T95
Role
alias
Source
TCMBank
Preferred
No
Name
AC1Q5T95
Role
alias
Source
SymMap_v2
Preferred
No
Name
AC1Q71H0
Role
alias
Source
SymMap_v2
Preferred
No
Name
AC1Q71H0
Role
alias
Source
TCMBank
Preferred
No
Name
AE-562/40414679
Role
alias
Source
SymMap_v2
Preferred
No
Name
AE-562/40414679
Role
alias
Source
TCMBank
Preferred
No
Name
AIDS027710
Role
alias
Source
TCMBank
Preferred
No
Name
AJ-08911
Role
alias
Source
SymMap_v2
Preferred
No
Name
AJ-08911
Role
alias
Source
TCMBank
Preferred
No
Name
AK-26304
Role
alias
Source
TCMBank
Preferred
No
Name
AK-26304
Role
alias
Source
SymMap_v2
Preferred
No
Name
AK134594
Role
alias
Source
SymMap_v2
Preferred
No
Name
AK134594
Role
alias
Source
TCMBank
Preferred
No
Name
AKOS 221-47
Role
alias
Source
TCMBank
Preferred
No
Name
AKOS 221-47
Role
alias
Source
SymMap_v2
Preferred
No
Name
AKOS BAR-2479
Role
alias
Source
TCMBank
Preferred
No
Name
AKOS BAR-2479
Role
alias
Source
SymMap_v2
Preferred
No
Name
AKOS000120685
Role
alias
Source
SymMap_v2
Preferred
No
Name
AKOS000120685
Role
alias
Source
TCMBank
Preferred
No
Name
AM20050138
Role
alias
Source
SymMap_v2
Preferred
No
Name
AM20050138
Role
alias
Source
TCMBank
Preferred
No
Name
AN-287
Role
alias
Source
SymMap_v2
Preferred
No
Name
AN-287
Role
alias
Source
TCMBank
Preferred
No
Name
AS-12000
Role
alias
Source
TCMBank
Preferred
No
Name
AS-12000
Role
alias
Source
SymMap_v2
Preferred
No
Name
AS03322
Role
alias
Source
SymMap_v2
Preferred
No
Name
AS03322
Role
alias
Source
TCMBank
Preferred
No
Name
ATTERCOP-CHM AT113965
Role
alias
Source
SymMap_v2
Preferred
No
Name
ATTERCOP-CHM AT113965
Role
alias
Source
TCMBank
Preferred
No
Name
AX8022446
Role
alias
Source
TCMBank
Preferred
No
Name
AX8022446
Role
alias
Source
SymMap_v2
Preferred
No
Name
BBL012226
Role
alias
Source
SymMap_v2
Preferred
No
Name
BBL012226
Role
alias
Source
TCMBank
Preferred
No
Name
BB_NC-2249
Role
alias
Source
SymMap_v2
Preferred
No
Name
BB_NC-2249
Role
alias
Source
TCMBank
Preferred
No
Name
BCP9001042
Role
alias
Source
SymMap_v2
Preferred
No
Name
BCP9001042
Role
alias
Source
TCMBank
Preferred
No
Name
BDBM4374
Role
alias
Source
SymMap_v2
Preferred
No
Name
BDBM4374
Role
alias
Source
TCMBank
Preferred
No
Name
BG00601173
Role
alias
Source
SymMap_v2
Preferred
No
Name
BG00601173
Role
alias
Source
TCMBank
Preferred
No
Name
BG01501540
Role
alias
Source
TCMBank
Preferred
No
Name
BG01501540
Role
alias
Source
SymMap_v2
Preferred
No
Name
BG01501541
Role
alias
Source
TCMBank
Preferred
No
Name
BG01501541
Role
alias
Source
SymMap_v2
Preferred
No
Name
BP-13278
Role
alias
Source
SymMap_v2
Preferred
No
Name
BP-13278
Role
alias
Source
TCMBank
Preferred
No
Name
BR-26304
Role
alias
Source
TCMBank
Preferred
No
Name
BR-26304
Role
alias
Source
SymMap_v2
Preferred
No
Name
BRN 2207381
Role
alias
Source
TCMBank
Preferred
No
Name
BRN 2207381
Role
alias
Source
SymMap_v2
Preferred
No
Name
BRN 2207383
Role
alias
Source
TCMBank
Preferred
No
Name
BRN 2207383
Role
alias
Source
SymMap_v2
Preferred
No
Name
C00811
Role
alias
Source
SymMap_v2
Preferred
No
Name
C00811
Role
alias
Source
TCMBank
Preferred
No
Name
C9008_SIGMA
Role
alias
Source
TCMBank
Preferred
No
Name
C9H8O3
Role
alias
Source
TCMBank
Preferred
No
Name
C9H8O3
Role
alias
Source
SymMap_v2
Preferred
No
Name
CHEBI:12876
Role
alias
Source
TCMBank
Preferred
No
Name
CHEBI:32373
Role
alias
Source
TCMBank
Preferred
No
Name
CHEBI:32374
Role
alias
Source
SymMap_v2
Preferred
No
Name
CHEBI:32374
Role
alias
Source
TCMBank
Preferred
No
Name
CHEBI:36090
Role
alias
Source
TCMBank
Preferred
No
Name
CHEBI:36090
Role
alias
Source
SymMap_v2
Preferred
No
Name
CHEMBL66879
Role
alias
Source
SymMap_v2
Preferred
No
Name
CHEMBL66879
Role
alias
Source
TCMBank
Preferred
No
Name
CINNAMIC ACID,4-HYDROXY P-COUMARIC ACID
Role
alias
Source
TCMBank
Preferred
No
Name
CJ-00262
Role
alias
Source
TCMBank
Preferred
No
Name
COUMARATE
Role
alias
Source
TCMBank
Preferred
No
Name
COUMARIC ACID, TRANS-P-
Role
alias
Source
SymMap_v2
Preferred
No
Name
COUMARIC ACID, TRANS-P-
Role
alias
Source
TCMBank
Preferred
No
Name
CS-W020394
Role
alias
Source
SymMap_v2
Preferred
No
Name
CS-W020394
Role
alias
Source
TCMBank
Preferred
No
Name
Cinnamic acid, 4-hydroxy-, trans-
Role
alias
Source
SymMap_v2
Preferred
No
Name
Cinnamic acid, 4-hydroxy-, trans-
Role
alias
Source
TCMBank
Preferred
No
Name
Cinnamic acid, p-hydroxy-
Role
alias
Source
TCMBank
Preferred
No
Name
Cinnamic acid, p-hydroxy-
Role
alias
Source
SymMap_v2
Preferred
No
Name
Cinnamic acid, p-hydroxy-, (E)-
Role
alias
Source
SymMap_v2
Preferred
No
Name
Cinnamic acid, p-hydroxy-, (E)-
Role
alias
Source
TCMBank
Preferred
No
Name
D0AU0M
Role
alias
Source
SymMap_v2
Preferred
No
Name
D0AU0M
Role
alias
Source
TCMBank
Preferred
No
Name
DB04066
Role
alias
Source
SymMap_v2
Preferred
No
Name
DB04066
Role
alias
Source
TCMBank
Preferred
No
Name
DTXSID6064660
Role
alias
Source
SymMap_v2
Preferred
No
Name
DTXSID6064660
Role
alias
Source
TCMBank
Preferred
No
Name
EINECS 231-000-0
Role
alias
Source
TCMBank
Preferred
No
Name
EINECS 231-000-0
Role
alias
Source
SymMap_v2
Preferred
No
Name
Enamine_005378
Role
alias
Source
TCMBank
Preferred
No
Name
F2191-0188
Role
alias
Source
SymMap_v2
Preferred
No
Name
F2191-0188
Role
alias
Source
TCMBank
Preferred
No
Name
GTPL5787
Role
alias
Source
SymMap_v2
Preferred
No
Name
GTPL5787
Role
alias
Source
TCMBank
Preferred
No
Name
HC4
Role
alias
Source
TCMBank
Preferred
No
Name
HMS1409E10
Role
alias
Source
SymMap_v2
Preferred
No
Name
HMS1409E10
Role
alias
Source
TCMBank
Preferred
No
Name
HYDROXYCINNAMIC ACID
Role
alias
Source
TCMBank
Preferred
No
Name
Hydroxycinnamic acid
Role
alias
Source
SymMap_v2
Preferred
No
Name
I01-9546
Role
alias
Source
SymMap_v2
Preferred
No
Name
I01-9546
Role
alias
Source
TCMBank
Preferred
No
Name
I01-9648
Role
alias
Source
TCMBank
Preferred
No
Name
I01-9648
Role
alias
Source
SymMap_v2
Preferred
No
Name
I04-0102
Role
alias
Source
SymMap_v2
Preferred
No
Name
I04-0102
Role
alias
Source
TCMBank
Preferred
No
Name
IBS9D1EU3J
Role
alias
Source
TCMBank
Preferred
No
Name
IBS9D1EU3J
Role
alias
Source
SymMap_v2
Preferred
No
Name
InChI=1/C9H8O3/c10-8-4-1-7(2-5-8)3-6-9(11)12/h1-6,10H,(H,11,12
Role
alias
Source
TCMBank
Preferred
No
Name
InChI=1/C9H8O3/c10-8-4-1-7(2-5-8)3-6-9(11)12/h1-6,10H,(H,11,12)/b6-3
Role
alias
Source
TCMBank
Preferred
No
Name
InChI=1/C9H8O3/c10-8-4-1-7(2-5-8)3-6-9(11)12/h1-6,10H,(H,11,12)/b6-3
Role
alias
Source
SymMap_v2
Preferred
No
Name
KB-72564
Role
alias
Source
TCMBank
Preferred
No
Name
KB-72564
Role
alias
Source
SymMap_v2
Preferred
No
Name
LABOTEST-BB LT00452637
Role
alias
Source
SymMap_v2
Preferred
No
Name
LABOTEST-BB LT00452637
Role
alias
Source
TCMBank
Preferred
No
Name
LABOTEST-BB LT03329617
Role
alias
Source
SymMap_v2
Preferred
No
Name
LABOTEST-BB LT03329617
Role
alias
Source
TCMBank
Preferred
No
Name
LS-54111
Role
alias
Source
SymMap_v2
Preferred
No
Name
LS-54111
Role
alias
Source
TCMBank
Preferred
No
Name
LS-54112
Role
alias
Source
SymMap_v2
Preferred
No
Name
LS-54112
Role
alias
Source
TCMBank
Preferred
No
Name
LS30305
Role
alias
Source
TCMBank
Preferred
No
Name
LS30305
Role
alias
Source
SymMap_v2
Preferred
No
Name
MFCD00004399
Role
alias
Source
SymMap_v2
Preferred
No
Name
MFCD00004399
Role
alias
Source
TCMBank
Preferred
No
Name
MLS001066419
Role
alias
Source
SymMap_v2
Preferred
No
Name
MLS001066419
Role
alias
Source
TCMBank
Preferred
No
Name
MP-2217
Role
alias
Source
TCMBank
Preferred
No
Name
MP-2217
Role
alias
Source
SymMap_v2
Preferred
No
Name
MolPort-000-860-894
Role
alias
Source
TCMBank
Preferred
No
Name
MolPort-000-860-894
Role
alias
Source
SymMap_v2
Preferred
No
Name
MolPort-004-288-351
Role
alias
Source
SymMap_v2
Preferred
No
Name
MolPort-004-288-351
Role
alias
Source
TCMBank
Preferred
No
Name
N1817
Role
alias
Source
TCMBank
Preferred
No
Name
N1817
Role
alias
Source
SymMap_v2
Preferred
No
Name
NCGC00246974-01
Role
alias
Source
SymMap_v2
Preferred
No
Name
NCGC00246974-01
Role
alias
Source
TCMBank
Preferred
No
Name
NGSWKAQJJWESNS-ZZXKWVIFSA-N
Role
alias
Source
SymMap_v2
Preferred
No
Name
NGSWKAQJJWESNS-ZZXKWVIFSA-N
Role
alias
Source
TCMBank
Preferred
No
Name
NSC 59260
Role
alias
Source
SymMap_v2
Preferred
No
Name
NSC 674321
Role
alias
Source
SymMap_v2
Preferred
No
Name
NSC 674321
Role
alias
Source
TCMBank
Preferred
No
Name
NSC-59260
Role
alias
Source
TCMBank
Preferred
No
Name
Naringeninic acid
Role
alias
Source
itcmdb_public
Preferred
No
Name
Naringeninic acid
Role
alias
Source
TCMBank
Preferred
No
Name
Naringeninic acid
Role
alias
Source
SymMap_v2
Preferred
No
Name
Naringeninic acid
Role
alias
Source
HERB_v2
Preferred
No
Name
OTAVA-BB 7020400347
Role
alias
Source
SymMap_v2
Preferred
No
Name
OTAVA-BB 7020400347
Role
alias
Source
TCMBank
Preferred
No
Name
P-HYDROXYL CINNAMIC ACID
Role
alias
Source
SymMap_v2
Preferred
No
Name
P-HYDROXYL CINNAMIC ACID
Role
alias
Source
TCMBank
Preferred
No
Name
Para coumarate
Role
alias
Source
SymMap_v2
Preferred
No
Name
Para coumarate
Role
alias
Source
TCMBank
Preferred
No
Name
Para-Coumaric acid
Role
alias
Source
TCMBank
Preferred
No
Name
Para-Coumaric acid
Role
alias
Source
SymMap_v2
Preferred
No
Name
PubChem24323
Role
alias
Source
SymMap_v2
Preferred
No
Name
PubChem24323
Role
alias
Source
TCMBank
Preferred
No
Name
PubChem8247
Role
alias
Source
TCMBank
Preferred
No
Name
PubChem8247
Role
alias
Source
SymMap_v2
Preferred
No
Name
Q-100560
Role
alias
Source
TCMBank
Preferred
No
Name
Q-100560
Role
alias
Source
SymMap_v2
Preferred
No
Name
RARECHEM BK HW 0163
Role
alias
Source
SymMap_v2
Preferred
No
Name
RARECHEM BK HW 0163
Role
alias
Source
TCMBank
Preferred
No
Name
RP09062
Role
alias
Source
SymMap_v2
Preferred
No
Name
RP09062
Role
alias
Source
TCMBank
Preferred
No
Name
RP17402
Role
alias
Source
TCMBank
Preferred
No
Name
RP17402
Role
alias
Source
SymMap_v2
Preferred
No
Name
RTR-017943
Role
alias
Source
SymMap_v2
Preferred
No
Name
RTR-017943
Role
alias
Source
TCMBank
Preferred
No
Name
RTR-023948
Role
alias
Source
SymMap_v2
Preferred
No
Name
RTR-023948
Role
alias
Source
TCMBank
Preferred
No
Name
SBB007613
Role
alias
Source
SymMap_v2
Preferred
No
Name
SBB007613
Role
alias
Source
TCMBank
Preferred
No
Name
SC-25929
Role
alias
Source
TCMBank
Preferred
No
Name
SC-25929
Role
alias
Source
SymMap_v2
Preferred
No
Name
SC-65982
Role
alias
Source
TCMBank
Preferred
No
Name
SC-65982
Role
alias
Source
SymMap_v2
Preferred
No
Name
SCHEMBL39106
Role
alias
Source
TCMBank
Preferred
No
Name
SCHEMBL39106
Role
alias
Source
SymMap_v2
Preferred
No
Name
SMR000112201
Role
alias
Source
SymMap_v2
Preferred
No
Name
SMR000112201
Role
alias
Source
TCMBank
Preferred
No
Name
ST093691
Role
alias
Source
TCMBank
Preferred
No
Name
ST093691
Role
alias
Source
SymMap_v2
Preferred
No
Name
ST24022578
Role
alias
Source
TCMBank
Preferred
No
Name
ST24022578
Role
alias
Source
SymMap_v2
Preferred
No
Name
ST2402517
Role
alias
Source
SymMap_v2
Preferred
No
Name
ST2402517
Role
alias
Source
TCMBank
Preferred
No
Name
STL163567
Role
alias
Source
TCMBank
Preferred
No
Name
STL163567
Role
alias
Source
SymMap_v2
Preferred
No
Name
TC-164240
Role
alias
Source
TCMBank
Preferred
No
Name
TC-164240
Role
alias
Source
SymMap_v2
Preferred
No
Name
TIMTEC-BB SBB007613
Role
alias
Source
SymMap_v2
Preferred
No
Name
TIMTEC-BB SBB007613
Role
alias
Source
TCMBank
Preferred
No
Name
TL8005115
Role
alias
Source
TCMBank
Preferred
No
Name
TL8005115
Role
alias
Source
SymMap_v2
Preferred
No
Name
TR-017943
Role
alias
Source
SymMap_v2
Preferred
No
Name
TR-017943
Role
alias
Source
TCMBank
Preferred
No
Name
TR-023948
Role
alias
Source
TCMBank
Preferred
No
Name
TR-023948
Role
alias
Source
SymMap_v2
Preferred
No
Name
UNII-IBS9D1EU3J
Role
alias
Source
TCMBank
Preferred
No
Name
UNII-IBS9D1EU3J
Role
alias
Source
SymMap_v2
Preferred
No
Name
W-104438
Role
alias
Source
SymMap_v2
Preferred
No
Name
W-104438
Role
alias
Source
TCMBank
Preferred
No
Name
ZB001183
Role
alias
Source
TCMBank
Preferred
No
Name
ZINC00039811
Role
alias
Source
TCMBank
Preferred
No
Name
ZINC39811
Role
alias
Source
TCMBank
Preferred
No
Name
ZINC39811
Role
alias
Source
SymMap_v2
Preferred
No
Name
ZX-AT011614
Role
alias
Source
TCMBank
Preferred
No
Name
ZX-AT011614
Role
alias
Source
SymMap_v2
Preferred
No
Name
b-[4-Hydroxyphenyl]acrylate
Role
alias
Source
TCMBank
Preferred
No
Name
b-[4-Hydroxyphenyl]acrylate
Role
alias
Source
SymMap_v2
Preferred
No
Name
b-[4-Hydroxyphenyl]acrylic acid
Role
alias
Source
TCMBank
Preferred
No
Name
b-[4-Hydroxyphenyl]acrylic acid
Role
alias
Source
SymMap_v2
Preferred
No
Name
beta-(4-Hydroxyphenyl)acrylic acid
Role
alias
Source
TCMBank
Preferred
No
Name
beta-(4-Hydroxyphenyl)acrylic acid
Role
alias
Source
SymMap_v2
Preferred
No
Name
beta-[4-Hydroxyphenyl]acrylate
Role
alias
Source
SymMap_v2
Preferred
No
Name
beta-[4-Hydroxyphenyl]acrylate
Role
alias
Source
TCMBank
Preferred
No
Name
bmse000150
Role
alias
Source
SymMap_v2
Preferred
No
Name
bmse000150
Role
alias
Source
TCMBank
Preferred
No
Name
bmse000591
Role
alias
Source
TCMBank
Preferred
No
Name
bmse000591
Role
alias
Source
SymMap_v2
Preferred
No
Name
bmse010208
Role
alias
Source
TCMBank
Preferred
No
Name
bmse010208
Role
alias
Source
SymMap_v2
Preferred
No
Name
hydroxycinnamate
Role
alias
Source
SymMap_v2
Preferred
No
Name
hydroxycinnamate
Role
alias
Source
TCMBank
Preferred
No
Name
p-Caumaric acid dehydrogenation homopolymer
Role
alias
Source
SymMap_v2
Preferred
No
Name
p-Caumaric acid dehydrogenation homopolymer
Role
alias
Source
TCMBank
Preferred
No
Name
p-Coumaric acid, >=98.0% (HPLC)
Role
alias
Source
SymMap_v2
Preferred
No
Name
p-Coumaric acid, >=98.0% (HPLC)
Role
alias
Source
TCMBank
Preferred
No
Name
p-Coumaric acid, primary pharmaceutical reference standard
Role
alias
Source
SymMap_v2
Preferred
No
Name
p-Coumaric acid, primary pharmaceutical reference standard
Role
alias
Source
TCMBank
Preferred
No
Name
p-Coumaric acid,trans
Role
alias
Source
SymMap_v2
Preferred
No
Name
p-Coumaric acid,trans
Role
alias
Source
TCMBank
Preferred
No
Name
p-Cumarate
Role
alias
Source
TCMBank
Preferred
No
Name
p-Cumarate
Role
alias
Source
SymMap_v2
Preferred
No
Name
p-Cumaric acid
Role
alias
Source
itcmdb_public
Preferred
No
Name
p-Cumaric acid
Role
alias
Source
HERB_v2
Preferred
No
Name
p-Cumaric acid
Role
alias
Source
SymMap_v2
Preferred
No
Name
p-Cumaric acid
Role
alias
Source
TCMBank
Preferred
No
Name
p-Hydroxy-cinnamic acid
Role
alias
Source
TCMBank
Preferred
No
Name
p-Hydroxycinnamate
Role
alias
Source
TCMBank
Preferred
No
Name
p-Hydroxycinnamate
Role
alias
Source
SymMap_v2
Preferred
No
Name
p-Hydroxycinnamic acid
Role
alias
Source
HERB_v2
Preferred
No
Name
p-Hydroxycinnamic acid
Role
alias
Source
SymMap_v2
Preferred
No
Name
p-Hydroxycinnamic acid
Role
alias
Source
itcmdb_public
Preferred
No
Name
p-Hydroxycinnamic acid, trans
Role
alias
Source
TCMBank
Preferred
No
Name
p-Hydroxycinnamic acid, trans
Role
alias
Source
SymMap_v2
Preferred
No
Name
p-Hydroxyphenylacrylic acid
Role
alias
Source
TCMBank
Preferred
No
Name
p-Hydroxyphenylacrylic acid
Role
alias
Source
SymMap_v2
Preferred
No
Name
p-coumarate
Role
alias
Source
TCMBank
Preferred
No
Name
p-coumaric acid
Role
alias
Source
itcmdb_public
Preferred
No
Name
p-coumaric acid
Role
alias
Source
HERB_v2
Preferred
No
Name
p-coumaric acid
Role
alias
Source
SymMap_v2
Preferred
No
Name
p-coumaric-acid
Role
alias
Source
TCMBank
Preferred
No
Name
p-hydroxycinnamic acid (M4)
Role
alias
Source
SymMap_v2
Preferred
No
Name
p-hydroxycinnamic acid (M4)
Role
alias
Source
TCMBank
Preferred
No
Name
trans-4-Hydroxycinnamic acid
Role
alias
Source
SymMap_v2
Preferred
No
Name
trans-4-Hydroxycinnamic acid
Role
alias
Source
TCMBank
Preferred
No
Name
trans-4-Hydroxycinnamic acid
Role
alias
Source
itcmdb_public
Preferred
No
Name
trans-4-Hydroxycinnamic acid
Role
alias
Source
HERB_v2
Preferred
No
Name
trans-4-coumarate
Role
alias
Source
TCMBank
Preferred
No
Name
trans-4-coumaric acid
Role
alias
Source
SymMap_v2
Preferred
No
Name
trans-4-coumaric acid
Role
alias
Source
TCMBank
Preferred
No
Name
trans-4-hydroxycinnamate
Role
alias
Source
SymMap_v2
Preferred
No
Name
trans-4-hydroxycinnamate
Role
alias
Source
TCMBank
Preferred
No
Name
trans-p-Coumaric acid
Role
alias
Source
TCMBank
Preferred
No
Name
trans-p-Coumaric acid
Role
alias
Source
SymMap_v2
Preferred
No
Name
trans-p-Coumaric acid
Role
alias
Source
itcmdb_public
Preferred
No
Name
trans-p-Coumaric acid
Role
alias
Source
HERB_v2
Preferred
No
Name
trans-p-Coumaric acid, analytical standard
Role
alias
Source
SymMap_v2
Preferred
No
Name
trans-p-Coumaric acid, analytical standard
Role
alias
Source
TCMBank
Preferred
No
Name
trans-p-Coumarinic acid
Role
alias
Source
SymMap_v2
Preferred
No
Name
trans-p-Coumarinic acid
Role
alias
Source
TCMBank
Preferred
No
Name
trans-p-Cumaric Acid
Role
alias
Source
TCMBank
Preferred
No
Name
trans-p-Cumaric Acid
Role
alias
Source
SymMap_v2
Preferred
No
Name
trans-p-Hydroxycinnamate
Role
alias
Source
SymMap_v2
Preferred
No
Name
trans-p-Hydroxycinnamate
Role
alias
Source
TCMBank
Preferred
No
Name
trans-p-Hydroxycinnamic acid
Role
alias
Source
TCMBank
Preferred
No
Name
trans-p-Hydroxycinnamic acid
Role
alias
Source
SymMap_v2
Preferred
No
Name
trans-p-coumarate
Role
alias
Source
SymMap_v2
Preferred
No
Name
trans-p-coumarate
Role
alias
Source
TCMBank
Preferred
No
Name
13.补虚药(60-62)
Role
level1_name
Source
TCMBank
Preferred
No
Name
6.消食药(8-8)
Role
level1_name
Source
TCMBank
Preferred
No
Name
tonifying and replenishing medicinal
Role
level1_name_en
Source
TCMBank
Preferred
No
Name
1.补气药(15-15)
Role
level2_name
Source
TCMBank
Preferred
No
Name
qi-tonifying medicinal
Role
level2_name_en
Source
TCMBank
Preferred
No
Aliases
Additional names normalized into the restored final schema.
4-Coumaric Acid4-Hydroxy Cinnamic AcidTrans-P-Coumaric Acid4-hydroxy cinnamic acid;trans- p- hydroxy cinnamic acid;trans-p-coumaric acid;p-cumaric acid;4-coumaric acid;P-hydroxy- cinnamic acid;Hydroxycinnamic acid人蔘糖菾菜;云南草蔻;假百合;柠檬;木贼麻黄;紫丁香;南非菟丝子;木贼麻黄;梓白皮;黄瓜;梓白皮;红车轴草;备玄参;芦荟(库拉索芦荟);斑纹桉;马铃薯;斑纹桉;台湾芙蓉TANG TIAN CAI;YUN NAN CAO KOU;JIA BAI HE;NING MENG;JIA BAI HE;NAN FANG TU SI ZI;DA CHE QIAN;YE HEI YING;BEI YE JU;ZI DING XIANG;CI GUO FAN LI ZHI;RI BEN HUANG BAI;HAI JIN SHA;XUAN FU HUA;GUAN MU TONG;XUAN FU HUA;MA LING SHU;DA CHE QIAN;CI GUO FAN LI ZHI;LU HUI;Occurs in many plants;NING MENG;MU ZEI MA HUANG;ZI DING XIANG;NAN FANG TU SI ZI;MU ZEI MA HUANG;ZI BAI PI;HUANG GUA;ZI BAI PI;HONG CHE ZHOU CAO;BEI XUAN SHEN;LU HUI;BAN WEN AN;MA LING SHU;BAN WEN AN;TAI WAN FU RONGPanax ginsengYunnan Galangal2021/11/21Hyacinth Falselily;Lemon;Hyacinth FaIseIiIy;South Dodder Seed;Rippleseed Plantain;Wild Rum-cherry;Boreal Wild Chrysanthemum;Early Lilac;Guanabana;Japan Corktree*;Japanese Climbing Fern;Manchurian Dutchmanspipe;Guanabana;Kulaso Aloe Dried Juice;Lemon;Mongolian Ephedra;EarIy LiIac;South Dodder Seed;Mongolian Ephedra;Ovate Catalpa Bast;Cucumber;Ovate Catalpa Bast;Red Clover;Buerger Figwort;Kulaso Aloe Dried Juice;Spotted Gum;Potato;Spotted Gum;Taiwan Hibiscus(2E)-3-(4-Hydroxyphenyl)-2-propenoic acid(2E)-3-(4-hydroxyphenyl)acrylate(2E)-3-(4-hydroxyphenyl)acrylic acid(2E)-3-(4-hydroxyphenyl)prop-2-enoate(2E)-3-(4-hydroxyphenyl)prop-2-enoic acid(E)-3-(4-Hydroxyphenyl)-2-propenoic acid(E)-3-(4-Hydroxyphenyl)acrylic acid(E)-3-(4-hydroxyphenyl)-2-propenoate(E)-3-(4-hydroxyphenyl)prop-2-enoate(E)-3-(4-hydroxyphenyl)prop-2-enoic acid(E)-4-hydroxycinnamic acid(E)-p-Coumaric acid(E)-p-Hydroxycinnamic acid0-10-00-00297 (Beilstein Handbook Reference)0C1BFF2D-2CF7-4FC1-9F76-3268C2C7F7832-Propenoic acid, 3-(4-hydroxyphenyl)-2-Propenoic acid, 3-(4-hydroxyphenyl)-, (E)-2-Propenoic acid, 3-(4-hydroxyphenyl)-, (E)- (9CI)2-Propenoic acid, 3-(4-hydroxyphenyl)-, (Z)-2-Propenoic acid, 3-(4-hydroxyphenyl)-, homopolymer2-propenoic acid, 3-(4-hydroxyphenyl)-, (2E)-28200_FLUKA3-(4-Hydroxyphenyl)-2-propenoate3-(4-Hydroxyphenyl)-2-propenoic acid3-(4-hydroxyphenyl)acrylate3-(4-hydroxyphenyl)acrylic acid3-(4-hydroxyphenyl)prop-2-enoate3-(4-hydroxyphenyl)prop-2-enoic acid4'-Hydroxycinnamic acid4-(2-Carboxyethenyl)phenolate4-10-00-01005 (Beilstein Handbook Reference)4-Hydroxycinamic acid4-Hydroxycinnamate4-Hydroxycinnamic acid4-Hydroxyphenylpropenoate4-Oxylatocinnamate4-coumarate4-coumaric acid, (E)-isomer4-hydroxycinnamate anion400H0804CN-09264f8j4qem501-98-450940-26-67400-08-0A828008AC-10318AC1LCUFZAC1NRBN2AC1Q5T95AC1Q71H0AE-562/40414679AIDS027710AJ-08911AK-26304AK134594AKOS 221-47AKOS BAR-2479AKOS000120685AM20050138AN-287AS-12000AS03322ATTERCOP-CHM AT113965AX8022446BBL012226BB_NC-2249BCP9001042BDBM4374BG00601173BG01501540BG01501541BP-13278BR-26304BRN 2207381BRN 2207383C00811C9008_SIGMAC9H8O3CHEBI:12876CHEBI:32373CHEBI:32374CHEBI:36090CHEMBL66879CINNAMIC ACID,4-HYDROXY P-COUMARIC ACIDCJ-00262COUMARATECOUMARIC ACID, TRANS-P-CS-W020394Cinnamic acid, 4-hydroxy-, trans-Cinnamic acid, p-hydroxy-Cinnamic acid, p-hydroxy-, (E)-D0AU0MDB04066DTXSID6064660EINECS 231-000-0Enamine_005378F2191-0188GTPL5787HC4HMS1409E10HYDROXYCINNAMIC ACIDI01-9546I01-9648I04-0102IBS9D1EU3JInChI=1/C9H8O3/c10-8-4-1-7(2-5-8)3-6-9(11)12/h1-6,10H,(H,11,12InChI=1/C9H8O3/c10-8-4-1-7(2-5-8)3-6-9(11)12/h1-6,10H,(H,11,12)/b6-3KB-72564LABOTEST-BB LT00452637LABOTEST-BB LT03329617LS-54111LS-54112LS30305MFCD00004399MLS001066419MP-2217MolPort-000-860-894MolPort-004-288-351N1817NCGC00246974-01NGSWKAQJJWESNS-ZZXKWVIFSA-NNSC 59260NSC 674321NSC-59260Naringeninic acidOTAVA-BB 7020400347P-HYDROXYL CINNAMIC ACIDPara coumaratePara-Coumaric acidPubChem24323PubChem8247Q-100560RARECHEM BK HW 0163RP09062RP17402RTR-017943RTR-023948SBB007613SC-25929SC-65982SCHEMBL39106SMR000112201ST093691ST24022578ST2402517STL163567TC-164240TIMTEC-BB SBB007613TL8005115TR-017943TR-023948UNII-IBS9D1EU3JW-104438ZB001183ZINC00039811ZINC39811ZX-AT011614b-[4-Hydroxyphenyl]acrylateb-[4-Hydroxyphenyl]acrylic acidbeta-(4-Hydroxyphenyl)acrylic acidbeta-[4-Hydroxyphenyl]acrylatebmse000150bmse000591bmse010208hydroxycinnamatep-Caumaric acid dehydrogenation homopolymerp-Coumaric acid, >=98.0% (HPLC)p-Coumaric acid, primary pharmaceutical reference standardp-Coumaric acid,transp-Cumaratep-Cumaric acidp-Hydroxy-cinnamic acidp-Hydroxycinnamatep-Hydroxycinnamic acidp-Hydroxycinnamic acid, transp-Hydroxyphenylacrylic acidp-coumaratep-coumaric-acidp-hydroxycinnamic acid (M4)trans-4-Hydroxycinnamic acidtrans-4-coumaratetrans-4-coumaric acidtrans-4-hydroxycinnamatetrans-p-Coumaric acid, analytical standardtrans-p-Coumarinic acidtrans-p-Cumaric Acidtrans-p-Hydroxycinnamatetrans-p-Hydroxycinnamic acidtrans-p-coumarate13.补虚药(60-62)6.消食药(8-8)tonifying and replenishing medicinal1.补气药(15-15)qi-tonifying medicinal
Cross References
Trusted external identifiers retained for this final record.
Cas
7400-08-0
Hit
C1258
Herb
HBIN010301HBIN010527HBIN029711HBIN038995HBIN039002HBIN039685HBIN039686HBIN046800HBIN046814
Npass
NPC251102NPC81010
Tcmid
232812393024910308193340433405334063340833409334113378433973339923484135420363713637938095381543841840286413541384139
Tcmsp
MOL000771
Sym Map
SMIT00423SMIT14775SMIT14776SMIT18471SMIT18726SMIT19145SMIT21480SMIT21495SMIT21522
Tcm Id
1781192112005205772057821142249452494624947
Pub Chem
448496637542
Tcmbank
TCMBANKIN043270TCMBANKIN055514TCMBANKIN058196
Drug Bank
DB04066
Etcm Ingredient
P-coumaricacidp-Coumaric acid
Itcmdb Generated
ITX-INGREDIENT-15E35F796DA7ITX-INGREDIENT-257A19227EE9ITX-INGREDIENT-40C298FC185CITX-INGREDIENT-953D267C7C39ITX-INGREDIENT-D6D0D1308336ITX-INGREDIENT-EF2ADCB89E50
Attributes
Merged source attributes and domain-specific metadata.
Ic
2.58496
Jx
2.70682
Jy
2.79328
Bic
0.63241
Cic
0.999991
Phi
2.73923
Sic
0.72105
Log D
0.231
Sc 0
12
Sc 1
12
Sc 2
15
Type
Blood ingredientsBlood ingredients,Other ingredients,Metabolic ingredientsOther ingredients
Alog P
1.685
Chi 0
8.97469
Chi 1
5.68154
Chi 2
5.09709
In Ch I
InChI=1S/C9H8O3/c10-8-4-1-7(2-5-8)3-6-9(11)12/h1-6,10H,(H,11,12)/b6-3+
Mol Wt
164.16
Pmi X
19.88719.8881
Energy
14.47
Sc 3 C
3
Sc 3 P
15
Smiles
C1=CC(=CC=C1C=CC(=O)O)Oc1(O[H])c([H])c([H])c(\C([H])=C([H])\C(O[H])=O)c([H])c1[H]c1([H])c([H])c(O[H])c([H])c([H])c1\C([H])=C([H])\C(=O)O[H]
Zagreb
54
37 Flag
37
Chi 3 C
0.90104
Chi 3 P
3.28769
Chi V 0
6.26677
Chi V 1
3.38338
Chi V 2
2.2631
C Count
9
Kappa 1
10.0833
Kappa 2
4.88888
Kappa 3
4
Mol Log P
1.49
N Count
0
O Count
3
P Count
0
Sc 3 Ch
0
S Count
0
Version
v1,v2v2
Alog P Mr
44.829
Chi 3 Ch
0
Dipole X
-4.219122.73121
Dipole Y
0.718353.29494
Dipole Z
0.0003
Iac Mean
1.45771
In Ch Ikey
NGSWKAQJJWESNS-ZZXKWVIFSA-N
Is Chiral
0
Ob Score
43.2943.2902406443.290241
Suppress
0
Tcm Name
人蔘糖菾菜;云南草蔻;假百合;柠檬;木贼麻黄;紫丁香;南非菟丝子;木贼麻黄;梓白皮;黄瓜;梓白皮;红车轴草;备玄参;芦荟(库拉索芦荟);斑纹桉;马铃薯;斑纹桉;台湾芙蓉
Admet Bbb
-0.566
Chi V 3 C
0.22346
Chi V 3 P
1.31144
Es Sum D O
10.103
Es Sum T N
0
E Adj Equ
106.313
E Adj Mag
147.207
Hba Count
1
Hbd Count
1
Iac Total
29.1544
Jurs Rasa
0.51080.51714
Jurs Rncg
0.30259
Jurs Rncs
15.692115.757
Jurs Rpcg
0.77462
Jurs Rpcs
7.670837.85792
Jurs Rpsa
0.482850.48919
Jurs Sasa
329.564332.061
Jurs Tasa
168.344171.725
Jurs Tpsa
160.336161.22
Num Atoms
12
Num Bonds
12
Num Rings
1
Shadow Xy
48.974548.9752
Shadow Xz
32.550132.5505
Shadow Yz
15.602415.6028
Shadow Nu
3.471253.47129
Tcm Name2
TANG TIAN CAI;YUN NAN CAO KOU;JIA BAI HE;NING MENG;JIA BAI HE;NAN FANG TU SI ZI;DA CHE QIAN;YE HEI YING;BEI YE JU;ZI DING XIANG;CI GUO FAN LI ZHI;RI BEN HUANG BAI;HAI JIN SHA;XUAN FU HUA;GUAN MU TONG;XUAN FU HUA;MA LING SHU;DA CHE QIAN;CI GUO FAN LI ZHI;LU HUI;Occurs in many plants;NING MENG;MU ZEI MA HUANG;ZI DING XIANG;NAN FANG TU SI ZI;MU ZEI MA HUANG;ZI BAI PI;HUANG GUA;ZI BAI PI;HONG CHE ZHOU CAO;BEI XUAN SHEN;LU HUI;BAN WEN AN;MA LING SHU;BAN WEN AN;TAI WAN FU RONG
V Adj Equ
93.6032
V Adj Mag
110.039
Mol2 Path
/TCM_database/13.补虚药(60-62)/1.补气药(15-15)/人蔘/3D/p-Coumaric acid.mol2/TCM_database/2003_3d_all/1680.mol2
Reference
2, 589, 658, 660
Chi V 3 Ch
0
Dipole Mag
4.279744.27983
Es Sum Aa N
0
Es Sum Aa O
0
Es Sum D Nh
0
Es Sum Dd C
0
Es Sum Ds N
0
Es Sum S Oh
17.186
Es Sum Ss O
0
Es Sum T Ch
0
Es Sum Ts C
0
Kappa 1 Am
8.64478
Kappa 2 Am
3.80239
Kappa 3 Am
3.00608
Num Hdonors
2
Num Chains
3
Num Rings3
0
Num Rings4
0
Num Rings5
0
Num Rings6
1
Num Rings7
0
Num Rings8
0
Es Count D O
1
Es Count T N
0
Es Sum Aa Ch
6.27
Es Sum Aa Nh
0
Es Sum Aaa C
0
Es Sum Aas C
0.914
Es Sum Aas N
0
Es Sum D Ch2
0
Es Sum Dds N
0
Es Sum Ds Ch
2.508
Es Sum Dss C
-0.984
Es Sum S Ch3
0
Es Sum S Nh2
0
Es Sum S Nh3
0
Es Sum Ss Nh
0
Es Sum Sss N
0
Jurs Dpsa 1
-255.657-256.705
Jurs Dpsa 3
57.609957.7986
Jurs Fnsa 1
0.886530.88787
Jurs Fnsa 2
-1.05744-1.05904
Jurs Fnsa 3
-0.16275-0.16442
Jurs Fpsa 1
0.112120.11346
Jurs Fpsa 2
0.040920.0414
Jurs Fpsa 3
0.010750.01096
Jurs Pnsa 1
292.61294.383
Jurs Pnsa 2
-349.018-351.132
Jurs Pnsa 3
-54.0399-54.1855
Jurs Ppsa 1
36.953537.6781
Jurs Ppsa 3
3.569993.61311
Jurs Wnsa 1
96.433897.753
Jurs Wnsa 2
-115.024-116.597
Jurs Wnsa 3
-17.8576-17.9446
Jurs Wpsa 1
12.178512.5114
Jurs Wpsa 3
1.185451.19075
Num Pi Bonds
0
Tcm Name En
Panax ginsengYunnan Galangal2021/11/21Hyacinth Falselily;Lemon;Hyacinth FaIseIiIy;South Dodder Seed;Rippleseed Plantain;Wild Rum-cherry;Boreal Wild Chrysanthemum;Early Lilac;Guanabana;Japan Corktree*;Japanese Climbing Fern;Manchurian Dutchmanspipe;Guanabana;Kulaso Aloe Dried Juice;Lemon;Mongolian Ephedra;EarIy LiIac;South Dodder Seed;Mongolian Ephedra;Ovate Catalpa Bast;Cucumber;Ovate Catalpa Bast;Red Clover;Buerger Figwort;Kulaso Aloe Dried Juice;Spotted Gum;Potato;Spotted Gum;Taiwan Hibiscus
Level1 Name
13.补虚药(60-62)6.消食药(8-8)
Level2 Name
1.补气药(15-15)
Admet Psa 2 D
58.931
Es Count Aa N
0
Es Count Aa O
0
Es Count D Nh
0
Es Count Dd C
0
Es Count Ds N
0
Es Count S Oh
2
Es Count Ss O
0
Es Count T Ch
0
Es Count Ts C
0
Es Sum Ss Ch2
0
Es Sum Ss Nh2
0
Es Sum Sss Ch
0
Es Sum Sss Nh
0
Es Sum Ssss C
0
Es Sum Ssss N
0
Nplus O Count
3
Num H Donors
2
Admet Alog P98
1.685
Admet Ext Ppb
-4.61743
Drug Likeness
0.651
Es Count Aa Ch
4
Es Count Aa Nh
0
Es Count Aaa C
0
Es Count Aas C
2
Es Count Aas N
0
Es Count D Ch2
0
Es Count Dds N
0
Es Count Ds Ch
2
Es Count Dss C
1
Es Count S Ch3
0
Es Count S Nh2
0
Es Count S Nh3
0
Es Count Ss Nh
0
Es Count Sss N
0
Es Sum Sssss P
0
Num Hacceptors
2
Num Fragments
1
Num Hydrogens
8
Num Ring Bonds
6
Organic Count
12
Rad Of Gyration
2.424052.42407
Shadow Xyfrac
0.68709
Shadow Xzfrac
0.81111
Shadow Yzfrac
0.75985
Strain Energy
15.64
Es Count Ss Ch2
0
Es Count Ss Nh2
0
Es Count Sss Ch
0
Es Count Sss Nh
0
Es Count Ssss C
0
Es Count Ssss N
0
Molecular Mass
164.047
Molecular Sasa
335.395
Num Metal Atoms
0
Num Rings9 Plus
0
Shadow Xlength
11.802611.8028
Shadow Ylength
6.039036.03919
Shadow Zlength
3.4001
Level1 Name En
tonifying and replenishing medicinal
Level2 Name En
qi-tonifying medicinal
Admet Bbb Level
3
Isomeric Smiles
C1=CC(=CC=C1/C=C/C(=O)O)O
Molecular Savol
299.39
Molecule Weight
164.17
Num Atom Classes
10
Num Bridge Bonds
0
Num H Acceptors
3
Num Repeat Units
0
Admet Ext Cyp2 D6
-6.52183
Admet Solubility
-1.381
Canonical Smiles
C1=CC(=CC=C1C=CC(=O)O)O
Herb Alias Names
p-coumaric acid4-Hydroxycinnamic acid501-98-4p-Hydroxycinnamic acidtrans-4-Hydroxycinnamic acidtrans-p-Coumaric acid7400-08-0p-Cumaric acidNaringeninic acid
Minimized Energy
-1.17
Molecular Weight
164.050
Molecular Volume
124.16124.5
Molecular Weight
164.158164.16 g/mol
Molecule Formula
C9H8O3
Num Macro Chains
0
Molecular Formula
C9H8O3
Molecular Formula
C9H8O3
Molecular Formula
C9H8O3
Num Rotatable Bonds
2
Num Aromatic Bonds
6
Num Aromatic Rings
1
Num Explicit Atoms
12
Num Explicit Bonds
12
Num Negative Atoms
0
Num Positive Atoms
0
Num Macro Residues
0
Num Ring Assemblies
1
Num Rotatable Bonds
2
Molecular Polar Sasa
114.494
Num Bridge Head Atoms
0
Num Chain Assemblies
2
Num Meso Stereo Atoms
0
Molecular Solubility
-2.045
Admet Ext Hepatotoxic
-6.77947
Admet Unknown Alog P98
0
Molecular Surface Area
169.75
Num Explicit Hydrogens
0
Num H Donors Lipinski
2
Num Pseudo Stereo Atoms
0
Admet Absorption Level
0
Admet Solubility Level
4
Admet Ext Ppb#Prediction
0
Num H Acceptors Lipinski
3
Molecular Polar Surface Area
57.53
Admet Ext Cyp2 D6#Prediction
0
Molecular Fractional Polar Sasa
0.341
Admet Ext Ppb Applicability#Md
11.1688
Fda Maximum Daily Dose (Fdamdd)
0.031
Admet Ext Hepatotoxic#Prediction
0
Admet Ext Cyp2 D6 Applicability#Md
9.20032
Admet Ext Ppb Applicability#Mdpvalue
0.400007
Molecular Fractional Polar Surface Area
0.338
Admet Ext Hepatotoxic Applicability#Md
8.33386
Admet Ext Cyp2 D6 Applicability#Mdpvalue
0.319896
Admet Ext Hepatotoxic Applicability#Mdpvalue
0.775741
Quantitative Estimate Of Drug Likeness（Qed）
0.651