Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
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Experiment: 4Herb: 12Ingredient: 1Reference: 8Target: 12Links: 36
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 4594
- Core Entity Id
- 8296
- Source Entity Count
- 1
- Preferred Name
- Ferulic acid
- Name En
- Pubchem Id
- 445858
- Smiles Canonical
- COc1cc(/C=C/C(=O)O)ccc1O
- Molecular Formula
- C10H10O4
- Molecular Weight
- 194.1860
- Inchikey
- KSEBMYQBYZTDHS-HWKANZROSA-N
- Inchi
- InChI=1S/C10H10O4/c1-14-9-6-7(2-4-8(9)11)3-5-10(12)13/h2-6,11H,1H3,(H,12,13)/b5-3+
- Isomeric Smiles
- COC1=C(C=CC(=C1)/C=C/C(=O)O)O
- Cas Id
- 1135-24-6
- Ob Score
- 40.4343
- Mol Logp
- 1.4986
- Num H Donors
- 2
- Num H Acceptors
- 3
- Num Rotatable Bonds
- 3
- Drug Likeness
- 0.7150
- Polar Surface Area
- 66.7500
- Molecular Volume
- 146.8000
- Alogp
- 1.6690
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
3-methoxy-4-hydroxycinnamic acid
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
3-methoxy-4-hydroxycinnamic acid
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
Ferulic Acid
Role
preferred
Source
SymMap_v2
Preferred
Yes
Name
Ferulic acid
Role
preferred
Source
TCMBank
Preferred
Yes
Name
Ferulic acid
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
Ferulic acid
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
备玄参;粳米;米皮糠;高贵春黄菊;当归;川芎;梯牧草;木贼;茴香茎叶;大车前;酸枣仁;辽槁本;北沙参;毛更细线;夏天无;欧当归;希腊杠柳;分叉当归;异株荨麻,茶芎;异叶铁杉;假百合;老鼠瓜;疏花缬草*;甜菜;兴安升麻;短片槁本;伸筋草;柠檬根;卵瓣蚤缀;阿魏;小接筋草;党参;大三叶升麻;莱菔子;关木通;仙人掌;槁本;石刁柏;黎檬叶;新疆槁本;台湾蜂斗菜;梓白皮;科西嘉松;来福;旋覆花;药用蒲公英;升麻;艾娃筋骨草;西藏胡黄连;台湾芙蓉;黄连;洋葱;地梢瓜;羌活;胡黄连;臭阿魏;柠檬皮
Role
TCM_name
Source
TCMBank
Preferred
No
Name
枳壳; 茯苓
Role
TCM_name
Source
TCMBank
Preferred
No
Name
羌活;薏苡仁
Role
TCM_name
Source
TCMBank
Preferred
No
Name
蒲公英
Role
TCM_name
Source
TCMBank
Preferred
No
Name
金荞麦; 炮姜; 升麻; 苏子; 陈皮; 穿心莲; 羊蹄; 白茅根
Role
TCM_name
Source
TCMBank
Preferred
No
Name
BEI XUAN SHEN;JING MI;MI PI KANG;GAO GUI CHUN HUANG JU;DANG GUI;CHUAN XIONG;TI MU CAO;MU ZEI;HUI XIANG JING YE;DA CHE QIAN;SUAN ZAO REN;LIAO GAO BEN;BEI SHA SHEN;MAO GENG XI XIAN;XIA TIAN WU;OU DANG GUI;XI LA GANG LIU;FEN CHA DANG GUI;YI ZHU QIAN MA;CHA XIONG;YI YE TIE SHAN;JIA BAI HE;LAO SHU GUA;SHU HUA JIE CAO;TIAN CAI;XING AN SHENG MA;DUAN PIAN GAO BEN;SHEN JIN CAO;NING MENG GEN;LUAN BAN ZAO ZHUI;A WEI;XIAO JIE JIN CAO;DANG SHEN;DA SAN YE SHENG MA;LAI FU ZI;GUAN MU TONG;XIAN REN ZHANG;GAO BEN;SHI DIAO BAI;LI MENG YE;XIN JIANG GAO BEN;TAI WAN FENG DOU CAI;ZI BAI PI;KE XI JIA SONG;LAI FU;XUAN FU HUA;YAO YONG PU GONG YING;SHENG MA;AI WA JIN GU CAO;XI ZANG HU HUANG LIAN;Occurs in many plants;TAI WAN FU RONG;HUANG LIAN;YANG CONG;DI SHAO GUA;QIANG HUO;HU HUANG LIAN;CHOU A WEI;NING MENG PI
Role
TCM_name2
Source
TCMBank
Preferred
No
Name
Taraxacum sinicum
Role
TCM_name2
Source
TCMBank
Preferred
No
Name
YANG TI; BAI MAO GEN
Role
TCM_name2
Source
TCMBank
Preferred
No
Name
草本植物羌活 Notopterygium incisum
Role
TCM_name2
Source
TCMBank
Preferred
No
Name
Buerger Figwort;Rice;Rice Spermoderm;Common Chamomile;Chinese Angelica;(Wallich Ligusticum);Timothy;Common Scouring Rush;Fennel Stem and Leaf;Rippleseed Plantain;Spine Date Seed;Jehol Ligusticum;Coastal Glehnia;Hairstalk St. Paulswort;Decumbent Corydalis;Garden Lovage;Grecian Silkvine;Furcate Angelica*;Dioecious Nettle;Chaxiong Ligusticum;Western Hemlock;Hyacinth Falselily;Common Caper;Laxflower Valeriana*;Common Beet;Dahurian Bugbane;Shortlobe Ligusticum;Common Japanese Clubmoss;Lemon Root;Ovatepetal Sandwort;Asafetida Giantfennel Resin;Selago-like Climbing Fern;Pilose Asiabell;Cowparsnipleaf Bugbane;Garden Radish Seed;Manchurian Dutchmanspipe;Cholla;Chinese Ligusticum;Curinary Asparagus;Lemonlike Citrus Leaf;Vaginate Hemlockparsley;Taiwan Butterbur*;Ovate Catalpa Bast;Corsican Pine;Garden Radish;British Inula;Officinal Dandelion;Bugbane;Iva Bugle*;Figwortflower Picrorhiza;Taiwan Hibiscus ;Chinese Goldthread;Common Onion;Bastardtoadflaxlike Swallowwort;Incised Notopterygium;Picrorhiza;Foetid Giantfennel*;Lemon Pericarp
Role
TCM_name_en
Source
TCMBank
Preferred
No
Name
Dandelion
Role
TCM_name_en
Source
TCMBank
Preferred
No
Name
Fagopyrum dibotrys; Roasted Ginger; Rhizoma Cimicifugae; Perillaseed; Pericarpium Citri Reticulatae; Andrographis paniculata; Rumex japonicus; Cimicifuga foetida
Role
TCM_name_en
Source
TCMBank
Preferred
No
Name
Rhizoma et Radix Notopterygii;Coix lachryma-jobi
Role
TCM_name_en
Source
TCMBank
Preferred
No
Name
ZHI KE; Poria cocos
Role
TCM_name_en
Source
TCMBank
Preferred
No
Name
(2E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate
Role
alias
Source
TCMBank
Preferred
No
Name
(E)-3-(3-methoxy-4-oxidanyl-phenyl)prop-2-enoate
Role
alias
Source
TCMBank
Preferred
No
Name
(E)-3-(4-Hydroxy-3-methoxyphenyl)-2-propenoate
Role
alias
Source
TCMBank
Preferred
No
Name
(E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate
Role
alias
Source
TCMBank
Preferred
No
Name
(E)-Ferulic acid
Role
alias
Source
HERB_v2
Preferred
No
Name
(E)-Ferulic acid
Role
alias
Source
itcmdb_public
Preferred
No
Name
1135-24-6
Role
alias
Source
itcmdb_public
Preferred
No
Name
1135-24-6
Role
alias
Source
HERB_v2
Preferred
No
Name
3-(4-Hydroxy-3-methoxyphenyl)acrylic acid
Role
alias
Source
HERB_v2
Preferred
No
Name
3-(4-Hydroxy-3-methoxyphenyl)acrylic acid
Role
alias
Source
itcmdb_public
Preferred
No
Name
3-Methoxy-4-hydroxy-trans-cinnamate
Role
alias
Source
TCMBank
Preferred
No
Name
4-Hydroxy-3-methoxycinnamic acid
Role
alias
Source
HERB_v2
Preferred
No
Name
4-Hydroxy-3-methoxycinnamic acid
Role
alias
Source
itcmdb_public
Preferred
No
Name
537-98-4
Role
alias
Source
HERB_v2
Preferred
No
Name
537-98-4
Role
alias
Source
itcmdb_public
Preferred
No
Name
A803063
Role
alias
Source
TCMBank
Preferred
No
Name
AC1NUT2L
Role
alias
Source
TCMBank
Preferred
No
Name
CHEBI:29749
Role
alias
Source
TCMBank
Preferred
No
Name
CJ-00500
Role
alias
Source
TCMBank
Preferred
No
Name
Coniferic acid
Role
alias
Source
itcmdb_public
Preferred
No
Name
Coniferic acid
Role
alias
Source
HERB_v2
Preferred
No
Name
ZB002373
Role
alias
Source
TCMBank
Preferred
No
Name
caffeic acid 3-methyl ether
Role
alias
Source
TCMBank
Preferred
No
Name
ferulate
Role
alias
Source
TCMBank
Preferred
No
Name
ferulate
Role
alias
Source
HERB_v2
Preferred
No
Name
ferulate
Role
alias
Source
itcmdb_public
Preferred
No
Name
ferulic acid
Role
alias
Source
HERB_v2
Preferred
No
Name
ferulic acid
Role
alias
Source
itcmdb_public
Preferred
No
Name
ferulicacid
Role
alias
Source
TCMBank
Preferred
No
Name
trans-4-Hydroxy-3-methoxycinnamic acid
Role
alias
Source
HERB_v2
Preferred
No
Name
trans-4-Hydroxy-3-methoxycinnamic acid
Role
alias
Source
itcmdb_public
Preferred
No
Name
trans-Ferulic Acid
Role
alias
Source
HERB_v2
Preferred
No
Name
trans-Ferulic Acid
Role
alias
Source
itcmdb_public
Preferred
No
Name
1.解表药(28-28)
Role
level1_name
Source
TCMBank
Preferred
No
Name
2.清热药(64-64)
Role
level1_name
Source
TCMBank
Preferred
No
Name
2.清热药(64-64); 7.止血药(25-26); 1.解表药(28-28); 9.化痰止咳平喘药(34-34); 5.理气药(22-22);
Role
level1_name
Source
TCMBank
Preferred
No
Name
4.利水渗湿药(27-27)
Role
level1_name
Source
TCMBank
Preferred
No
Name
dampness-resolving medicinal
Role
level1_name_en
Source
TCMBank
Preferred
No
Name
exterior-releasing medicinal
Role
level1_name_en
Source
TCMBank
Preferred
No
Name
heat-clearing medicinal
Role
level1_name_en
Source
TCMBank
Preferred
No
Name
heat-clearing medicinal; hemostatic medicinal; exterior-releasing medicinal; cough-suppressing and panting-calming medicinal; qi-regulating medicinal
Role
level1_name_en
Source
TCMBank
Preferred
No
Name
1.利水消肿药(11-11)
Role
level2_name
Source
TCMBank
Preferred
No
Name
1.发散风寒药(16-16)
Role
level2_name
Source
TCMBank
Preferred
No
Name
3.清热解毒药(30-30)
Role
level2_name
Source
TCMBank
Preferred
No
Name
3.清热解毒药(30-30); 4.温经止血药(3-3); 2.发散风热药(12-12); 3.止咳平喘药(11-11); 1.凉血止血药(8-9)
Role
level2_name
Source
TCMBank
Preferred
No
Name
heat-clearing and detoxicating medicinal
Role
level2_name_en
Source
TCMBank
Preferred
No
Name
heat-clearing and detoxicating medicinal; meridian-warming hemostatic medicinal; wind-heat dispersing; cough-suppressing and panting-calming medicinal; blood-cooling hemostatic medicinal
Role
level2_name_en
Source
TCMBank
Preferred
No
Name
water-draining and swelling-dispersing medicinal
Role
level2_name_en
Source
TCMBank
Preferred
No
Name
wind-cold-dispersing
Role
level2_name_en
Source
TCMBank
Preferred
No
Name
FER
Role
preferred
Source
TCMBank
Preferred
Yes
Name
Fer
Role
preferred
Source
SymMap_v2
Preferred
Yes
Name
(2E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoic acid
Role
alias
Source
TCMBank
Preferred
No
Name
(E)-3-(4-Hydroxy-3-methoxyphenyl)-2-propenoic acid
Role
alias
Source
TCMBank
Preferred
No
Name
(E)-3-(4-hydroxy-3-methoxy-phenyl)acrylic acid
Role
alias
Source
TCMBank
Preferred
No
Name
(E)-3-(4-hydroxy-3-methoxy-phenyl)prop-2-enoic acid
Role
alias
Source
TCMBank
Preferred
No
Name
(E)-4'-Hydroxy-3'-methoxycinnamic acid
Role
alias
Source
TCMBank
Preferred
No
Name
128708_ALDRICH
Role
alias
Source
TCMBank
Preferred
No
Name
2-Propenoic acid, 3-(4-hydroxy-3-methoxyphenyl)-
Role
alias
Source
TCMBank
Preferred
No
Name
2-Propenoic acid, 3-(4-hydroxy-3-methoxyphenyl)-, (E)-
Role
alias
Source
TCMBank
Preferred
No
Name
2-Propenoic acid, 3-(4-hydroxy-3-methoxyphenyl)-, (E)- (9CI)
Role
alias
Source
TCMBank
Preferred
No
Name
3-(4-Hydroxy-3-methoxyphenyl)-2-propenoic acid
Role
alias
Source
TCMBank
Preferred
No
Name
3-(4-Hydroxy-3-methoxyphenyl)-2-propenoic acid homopolymer
Role
alias
Source
TCMBank
Preferred
No
Name
3-(4-hydroxy-3-methoxyphenyl)prop-2-enoic acid
Role
alias
Source
TCMBank
Preferred
No
Name
3-methoxy-4-hydroxy-trans-cinnamic acid
Role
alias
Source
TCMBank
Preferred
No
Name
4-Hydroxy-3-methoxy cinnammic acid
Role
alias
Source
TCMBank
Preferred
No
Name
46278_FLUKA
Role
alias
Source
TCMBank
Preferred
No
Name
97274-61-8
Role
alias
Source
TCMBank
Preferred
No
Name
AIDS017864
Role
alias
Source
TCMBank
Preferred
No
Name
BSPBio_003168
Role
alias
Source
TCMBank
Preferred
No
Name
C01494
Role
alias
Source
TCMBank
Preferred
No
Name
CCRIS 3256
Role
alias
Source
TCMBank
Preferred
No
Name
CCRIS 7575
Role
alias
Source
TCMBank
Preferred
No
Name
CHEBI:17620
Role
alias
Source
TCMBank
Preferred
No
Name
CINNAMIC ACID,4-HYDROXY,3-METHOXY FERULIC ACID
Role
alias
Source
TCMBank
Preferred
No
Name
Cinnamic acid, 4-hydroxy-3-methoxy-
Role
alias
Source
TCMBank
Preferred
No
Name
Cinnamic acid, 4-hydroxy-3-methoxy- (8CI)
Role
alias
Source
TCMBank
Preferred
No
Name
Cinnamic acid, 4-hydroxy-3-methoxy-, (E)-
Role
alias
Source
TCMBank
Preferred
No
Name
Cinnamic acid, 4-hydroxy-3-methoxy-, trans-
Role
alias
Source
TCMBank
Preferred
No
Name
DivK1c_006643
Role
alias
Source
TCMBank
Preferred
No
Name
EINECS 208-679-7
Role
alias
Source
TCMBank
Preferred
No
Name
EINECS 214-490-0
Role
alias
Source
TCMBank
Preferred
No
Name
FERULIC-ACID
Role
alias
Source
TCMBank
Preferred
No
Name
FERULOATE
Role
alias
Source
TCMBank
Preferred
No
Name
Ferulate
Role
alias
Source
TCMBank
Preferred
No
Name
Ferulic acid dehydrogenation homopolymer
Role
alias
Source
TCMBank
Preferred
No
Name
Ferulic acid, trans-
Role
alias
Source
TCMBank
Preferred
No
Name
InChI=1/C10H10O4/c1-14-9-6-7(2-4-8(9)11)3-5-10(12)13/h2-6,11H,1H3,(H,12,13
Role
alias
Source
TCMBank
Preferred
No
Name
KBio1_001587
Role
alias
Source
TCMBank
Preferred
No
Name
KBio2_001736
Role
alias
Source
TCMBank
Preferred
No
Name
KBio2_004304
Role
alias
Source
TCMBank
Preferred
No
Name
KBio2_006872
Role
alias
Source
TCMBank
Preferred
No
Name
KBio3_002388
Role
alias
Source
TCMBank
Preferred
No
Name
KBioGR_002459
Role
alias
Source
TCMBank
Preferred
No
Name
KBioSS_001736
Role
alias
Source
TCMBank
Preferred
No
Name
MLS001066385
Role
alias
Source
TCMBank
Preferred
No
Name
NCGC00094889-02
Role
alias
Source
TCMBank
Preferred
No
Name
NCGC00094889-03
Role
alias
Source
TCMBank
Preferred
No
Name
NCI60_002312
Role
alias
Source
TCMBank
Preferred
No
Name
NSC 674320
Role
alias
Source
TCMBank
Preferred
No
Name
NSC2821
Role
alias
Source
TCMBank
Preferred
No
Name
NSC51986
Role
alias
Source
TCMBank
Preferred
No
Name
SBB000326
Role
alias
Source
TCMBank
Preferred
No
Name
SDCCGMLS-0066667.P001
Role
alias
Source
TCMBank
Preferred
No
Name
SMR000112202
Role
alias
Source
TCMBank
Preferred
No
Name
SPBio_001408
Role
alias
Source
TCMBank
Preferred
No
Name
SPECTRUM1501017
Role
alias
Source
TCMBank
Preferred
No
Name
SpecPlus_000547
Role
alias
Source
TCMBank
Preferred
No
Name
Spectrum2_001394
Role
alias
Source
TCMBank
Preferred
No
Name
Spectrum3_001434
Role
alias
Source
TCMBank
Preferred
No
Name
Spectrum4_001897
Role
alias
Source
TCMBank
Preferred
No
Name
Spectrum5_000554
Role
alias
Source
TCMBank
Preferred
No
Name
Spectrum_001256
Role
alias
Source
TCMBank
Preferred
No
Name
Trans-ferulic acid
Role
alias
Source
TCMBank
Preferred
No
Name
W518301_ALDRICH
Role
alias
Source
TCMBank
Preferred
No
Name
transferulic acid NCGC00094889-01
Role
alias
Source
TCMBank
Preferred
No
Aliases
Additional names normalized into the restored final schema.
3-methoxy-4-hydroxycinnamic acid备玄参;粳米;米皮糠;高贵春黄菊;当归;川芎;梯牧草;木贼;茴香茎叶;大车前;酸枣仁;辽槁本;北沙参;毛更细线;夏天无;欧当归;希腊杠柳;分叉当归;异株荨麻,茶芎;异叶铁杉;假百合;老鼠瓜;疏花缬草*;甜菜;兴安升麻;短片槁本;伸筋草;柠檬根;卵瓣蚤缀;阿魏;小接筋草;党参;大三叶升麻;莱菔子;关木通;仙人掌;槁本;石刁柏;黎檬叶;新疆槁本;台湾蜂斗菜;梓白皮;科西嘉松;来福;旋覆花;药用蒲公英;升麻;艾娃筋骨草;西藏胡黄连;台湾芙蓉;黄连;洋葱;地梢瓜;羌活;胡黄连;臭阿魏;柠檬皮枳壳; 茯苓羌活;薏苡仁蒲公英金荞麦; 炮姜; 升麻; 苏子; 陈皮; 穿心莲; 羊蹄; 白茅根BEI XUAN SHEN;JING MI;MI PI KANG;GAO GUI CHUN HUANG JU;DANG GUI;CHUAN XIONG;TI MU CAO;MU ZEI;HUI XIANG JING YE;DA CHE QIAN;SUAN ZAO REN;LIAO GAO BEN;BEI SHA SHEN;MAO GENG XI XIAN;XIA TIAN WU;OU DANG GUI;XI LA GANG LIU;FEN CHA DANG GUI;YI ZHU QIAN MA;CHA XIONG;YI YE TIE SHAN;JIA BAI HE;LAO SHU GUA;SHU HUA JIE CAO;TIAN CAI;XING AN SHENG MA;DUAN PIAN GAO BEN;SHEN JIN CAO;NING MENG GEN;LUAN BAN ZAO ZHUI;A WEI;XIAO JIE JIN CAO;DANG SHEN;DA SAN YE SHENG MA;LAI FU ZI;GUAN MU TONG;XIAN REN ZHANG;GAO BEN;SHI DIAO BAI;LI MENG YE;XIN JIANG GAO BEN;TAI WAN FENG DOU CAI;ZI BAI PI;KE XI JIA SONG;LAI FU;XUAN FU HUA;YAO YONG PU GONG YING;SHENG MA;AI WA JIN GU CAO;XI ZANG HU HUANG LIAN;Occurs in many plants;TAI WAN FU RONG;HUANG LIAN;YANG CONG;DI SHAO GUA;QIANG HUO;HU HUANG LIAN;CHOU A WEI;NING MENG PITaraxacum sinicumYANG TI; BAI MAO GEN草本植物羌活 Notopterygium incisumBuerger Figwort;Rice;Rice Spermoderm;Common Chamomile;Chinese Angelica;(Wallich Ligusticum);Timothy;Common Scouring Rush;Fennel Stem and Leaf;Rippleseed Plantain;Spine Date Seed;Jehol Ligusticum;Coastal Glehnia;Hairstalk St. Paulswort;Decumbent Corydalis;Garden Lovage;Grecian Silkvine;Furcate Angelica*;Dioecious Nettle;Chaxiong Ligusticum;Western Hemlock;Hyacinth Falselily;Common Caper;Laxflower Valeriana*;Common Beet;Dahurian Bugbane;Shortlobe Ligusticum;Common Japanese Clubmoss;Lemon Root;Ovatepetal Sandwort;Asafetida Giantfennel Resin;Selago-like Climbing Fern;Pilose Asiabell;Cowparsnipleaf Bugbane;Garden Radish Seed;Manchurian Dutchmanspipe;Cholla;Chinese Ligusticum;Curinary Asparagus;Lemonlike Citrus Leaf;Vaginate Hemlockparsley;Taiwan Butterbur*;Ovate Catalpa Bast;Corsican Pine;Garden Radish;British Inula;Officinal Dandelion;Bugbane;Iva Bugle*;Figwortflower Picrorhiza;Taiwan Hibiscus ;Chinese Goldthread;Common Onion;Bastardtoadflaxlike Swallowwort;Incised Notopterygium;Picrorhiza;Foetid Giantfennel*;Lemon PericarpDandelionFagopyrum dibotrys; Roasted Ginger; Rhizoma Cimicifugae; Perillaseed; Pericarpium Citri Reticulatae; Andrographis paniculata; Rumex japonicus; Cimicifuga foetidaRhizoma et Radix Notopterygii;Coix lachryma-jobiZHI KE; Poria cocos(2E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate(E)-3-(3-methoxy-4-oxidanyl-phenyl)prop-2-enoate(E)-3-(4-Hydroxy-3-methoxyphenyl)-2-propenoate(E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate(E)-Ferulic acid1135-24-63-(4-Hydroxy-3-methoxyphenyl)acrylic acid3-Methoxy-4-hydroxy-trans-cinnamate4-Hydroxy-3-methoxycinnamic acid537-98-4A803063AC1NUT2LCHEBI:29749CJ-00500Coniferic acidZB002373caffeic acid 3-methyl etherferulateferulicacidtrans-4-Hydroxy-3-methoxycinnamic acidtrans-Ferulic Acid1.解表药(28-28)2.清热药(64-64)2.清热药(64-64); 7.止血药(25-26); 1.解表药(28-28); 9.化痰止咳平喘药(34-34); 5.理气药(22-22);4.利水渗湿药(27-27)dampness-resolving medicinalexterior-releasing medicinalheat-clearing medicinalheat-clearing medicinal; hemostatic medicinal; exterior-releasing medicinal; cough-suppressing and panting-calming medicinal; qi-regulating medicinal1.利水消肿药(11-11)1.发散风寒药(16-16)3.清热解毒药(30-30)3.清热解毒药(30-30); 4.温经止血药(3-3); 2.发散风热药(12-12); 3.止咳平喘药(11-11); 1.凉血止血药(8-9)heat-clearing and detoxicating medicinalheat-clearing and detoxicating medicinal; meridian-warming hemostatic medicinal; wind-heat dispersing; cough-suppressing and panting-calming medicinal; blood-cooling hemostatic medicinalwater-draining and swelling-dispersing medicinalwind-cold-dispersingFER(2E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoic acid(E)-3-(4-Hydroxy-3-methoxyphenyl)-2-propenoic acid(E)-3-(4-hydroxy-3-methoxy-phenyl)acrylic acid(E)-3-(4-hydroxy-3-methoxy-phenyl)prop-2-enoic acid(E)-4'-Hydroxy-3'-methoxycinnamic acid128708_ALDRICH2-Propenoic acid, 3-(4-hydroxy-3-methoxyphenyl)-2-Propenoic acid, 3-(4-hydroxy-3-methoxyphenyl)-, (E)-2-Propenoic acid, 3-(4-hydroxy-3-methoxyphenyl)-, (E)- (9CI)3-(4-Hydroxy-3-methoxyphenyl)-2-propenoic acid3-(4-Hydroxy-3-methoxyphenyl)-2-propenoic acid homopolymer3-(4-hydroxy-3-methoxyphenyl)prop-2-enoic acid3-methoxy-4-hydroxy-trans-cinnamic acid4-Hydroxy-3-methoxy cinnammic acid46278_FLUKA97274-61-8AIDS017864BSPBio_003168C01494CCRIS 3256CCRIS 7575CHEBI:17620CINNAMIC ACID,4-HYDROXY,3-METHOXY FERULIC ACIDCinnamic acid, 4-hydroxy-3-methoxy-Cinnamic acid, 4-hydroxy-3-methoxy- (8CI)Cinnamic acid, 4-hydroxy-3-methoxy-, (E)-Cinnamic acid, 4-hydroxy-3-methoxy-, trans-DivK1c_006643EINECS 208-679-7EINECS 214-490-0FERULIC-ACIDFERULOATEFerulic acid dehydrogenation homopolymerFerulic acid, trans-InChI=1/C10H10O4/c1-14-9-6-7(2-4-8(9)11)3-5-10(12)13/h2-6,11H,1H3,(H,12,13KBio1_001587KBio2_001736KBio2_004304KBio2_006872KBio3_002388KBioGR_002459KBioSS_001736MLS001066385NCGC00094889-02NCGC00094889-03NCI60_002312NSC 674320NSC2821NSC51986SBB000326SDCCGMLS-0066667.P001SMR000112202SPBio_001408SPECTRUM1501017SpecPlus_000547Spectrum2_001394Spectrum3_001434Spectrum4_001897Spectrum5_000554Spectrum_001256W518301_ALDRICHtransferulic acid NCGC00094889-01
Cross References
Trusted external identifiers retained for this final record.
Cas
1135-24-6537-98-4
Hit
C0073
Herb
HBIN008800HBIN026465HBIN026440HBIN046758HBIN046759
Npass
NPC141868NPC70744
Tcmid
236963350077673308737189
Tcmsp
MOL002665MOL000360
Sym Map
SMIT01860SMIT02636SMIT04865SMIT02975
Tcm Id
10600106011281912820128211282214900149011811020033225152251643691433117150
Pub Chem
44585854691413
Tcmbank
TCMBANKIN038204TCMBANKIN051058TCMBANKIN052920TCMBANKIN054888TCMBANKIN055022TCMBANKIN056948TCMBANKIN061577
Itcmdb Generated
ITX-INGREDIENT-203618DBBBF3ITX-INGREDIENT-5203293972D8ITX-INGREDIENT-54DB08A0805EITX-INGREDIENT-8E46CFC92ACBITX-INGREDIENT-9BEE303AC26D
Attributes
Merged source attributes and domain-specific metadata.
Ic
3.37878
Jx
2.84381
Jy
2.98264
Bic
0.79539
Cic
0.42857
Phi
3.52819
Sic
0.88743
Log D
0.21
Sc 0
14
Sc 1
14
Sc 2
18
Type
Other ingredients
Alog P
1.669
Chi 0
10.552
Chi 1
6.63022
Chi 2
5.79588
In Ch I
InChI=1S/C10H10O4/c1-14-9-6-7(2-4-8(9)11)3-5-10(12)13/h2-6,11H,1H3,(H,12,13)/b5-3+
Mol Wt
194.186
Pmi X
47.085447.085647.08647.086347.086552.4772
Energy
14.4314.4414.99
Sc 3 C
4
Sc 3 P
20
Smiles
C(O[H])(=O)\C([H])=C([H])\c1c([H])c([H])c(O[H])c(OC([H])([H])[H])c1[H]C([H])(/c1c([H])c([H])c(O[H])c(OC([H])([H])[H])c1[H])=C([H])\C(O[H])=OC([H])([H])([H])Oc1c([H])c(\C([H])=C([H])\C(=O)O[H])c([H])c([H])c1O[H]COC1=C(C=CC(=C1)C=CC(=O)O)[O-]c1(OC([H])([H])[H])c([H])c(\C([H])=C([H])\C(=O)O[H])c([H])c([H])c1O[H]c1(OC([H])([H])[H])c([H])c(\C([H])=C([H])\C(O[H])=O)c([H])c([H])c1O[H]
Zagreb
64
37 Flag
37
Chi 3 C
1.01474
Chi 3 P
4.14772
Chi V 0
7.59767
Chi V 1
3.91242
Chi V 2
2.60285
C Count
10
Kappa 1
12.0714
Kappa 2
5.77777
Kappa 3
3.96
Mol Log P
1.4986
N Count
0
O Count
4
P Count
0
Sc 3 Ch
0
S Count
0
Version
v1,v2
Alog P Mr
51.292
Chi 3 Ch
0
Dipole X
-1.84456-1.90606-1.906093.196853.19687
Dipole Y
-0.35481-0.35501-2.59076-2.59083-2.59102-2.61562
Dipole Z
-0.00023-0.00040.000170.000250.000260.00031
Iac Mean
1.48335
In Ch Ikey
KSEBMYQBYZTDHS-HWKANZROSA-N
Is Chiral
0
Ob Score
40.43430661
Suppress
1
Tcm Name
备玄参;粳米;米皮糠;高贵春黄菊;当归;川芎;梯牧草;木贼;茴香茎叶;大车前;酸枣仁;辽槁本;北沙参;毛更细线;夏天无;欧当归;希腊杠柳;分叉当归;异株荨麻,茶芎;异叶铁杉;假百合;老鼠瓜;疏花缬草*;甜菜;兴安升麻;短片槁本;伸筋草;柠檬根;卵瓣蚤缀;阿魏;小接筋草;党参;大三叶升麻;莱菔子;关木通;仙人掌;槁本;石刁柏;黎檬叶;新疆槁本;台湾蜂斗菜;梓白皮;科西嘉松;来福;旋覆花;药用蒲公英;升麻;艾娃筋骨草;西藏胡黄连;台湾芙蓉;黄连;洋葱;地梢瓜;羌活;胡黄连;臭阿魏;柠檬皮枳壳; 茯苓羌活;薏苡仁蒲公英金荞麦; 炮姜; 升麻; 苏子; 陈皮; 穿心莲; 羊蹄; 白茅根
Admet Bbb
-0.712
Chi V 3 C
0.2724
Chi V 3 P
1.62213
Es Sum D O
10.226
Es Sum T N
0
E Adj Equ
134.857
E Adj Mag
186.117
Hba Count
2
Hbd Count
1
Iac Total
35.6005
Jurs Rasa
0.523050.530190.53049
Jurs Rncg
0.24383
Jurs Rncs
11.599911.704411.7567
Jurs Rpcg
0.52101
Jurs Rpcs
4.90775.03354
Jurs Rpsa
0.46950.46980.47694
Jurs Sasa
367.564369.445371.51
Jurs Tasa
192.255195.878197.085
Jurs Tpsa
173.567174.425175.309
Num Atoms
14
Num Bonds
14
Num Rings
1
Shadow Xy
57.279657.408357.408557.4086
Shadow Xz
32.113632.720532.720632.720932.721132.7216
Shadow Yz
21.569821.5721.570121.570922.1692
Shadow Nu
3.429943.473493.473593.47363.473613.47365
Tcm Name2
BEI XUAN SHEN;JING MI;MI PI KANG;GAO GUI CHUN HUANG JU;DANG GUI;CHUAN XIONG;TI MU CAO;MU ZEI;HUI XIANG JING YE;DA CHE QIAN;SUAN ZAO REN;LIAO GAO BEN;BEI SHA SHEN;MAO GENG XI XIAN;XIA TIAN WU;OU DANG GUI;XI LA GANG LIU;FEN CHA DANG GUI;YI ZHU QIAN MA;CHA XIONG;YI YE TIE SHAN;JIA BAI HE;LAO SHU GUA;SHU HUA JIE CAO;TIAN CAI;XING AN SHENG MA;DUAN PIAN GAO BEN;SHEN JIN CAO;NING MENG GEN;LUAN BAN ZAO ZHUI;A WEI;XIAO JIE JIN CAO;DANG SHEN;DA SAN YE SHENG MA;LAI FU ZI;GUAN MU TONG;XIAN REN ZHANG;GAO BEN;SHI DIAO BAI;LI MENG YE;XIN JIANG GAO BEN;TAI WAN FENG DOU CAI;ZI BAI PI;KE XI JIA SONG;LAI FU;XUAN FU HUA;YAO YONG PU GONG YING;SHENG MA;AI WA JIN GU CAO;XI ZANG HU HUANG LIAN;Occurs in many plants;TAI WAN FU RONG;HUANG LIAN;YANG CONG;DI SHAO GUA;QIANG HUO;HU HUANG LIAN;CHOU A WEI;NING MENG PITaraxacum sinicumYANG TI; BAI MAO GEN草本植物羌活 Notopterygium incisum
V Adj Equ
115.968
V Adj Mag
134.606
Mol2 Path
/TCM_database/1.解表药(28-28)/1.发散风寒药(16-16)/羌活/草本植物羌活 Notopterygium incisum/structure/ferulic acid.mol2/TCM_database/13.补虚药(60-62)/3.补血药 (6-7)/当归/structure/3D/Ferulic acid.mol2/TCM_database/2.清热药(64-64)/3.清热解毒药(30-30)/蒲公英/Taraxacum sinicum/structure/ferulic acid.mol2/TCM_database/2.清热药(64-64)/3.清热解毒药(30-30)/金荞麦/structure/ferulic acid.mol2; /TCM_database/7.止血药(25-26)/4.温经止血药(3-3)/炮姜/structure/ferulic acid.mol2; /TCM_database/1.解表药(28-28)/2.发散风热药(12-12)/升麻/Cimicifuga foetida/structure/ferulic acid.mol2; /TCM_database/9.化痰止咳平喘药(34-34)/3.止咳平喘药(11-11)/苏子/structure/ferulic acid.mol2; /TCM_database/5.理气药(22-22)/陈皮/structure/ferulic acid.mol2; /TCM_database/2.清热药(64-64)/3.清热解毒药(30-30)/穿心莲/structure/ferulic acid.mol2; /TCM_database/7.止血药(25-26)/1.凉血止血药(8-9)/羊蹄/Rumex japonicus/Structure/ferulic acid.mol2; /TCM_database/7.止血药(25-26)/1.凉血止血药(8-9)/白茅根/structure/ferulic acid.mol2/TCM_database/2003_3d_all/3070.mol2/TCM_database/5.理气药(22-22)/枳壳/structure/ferulic acid.mol2
Reference
2, 4, 456, 476, 500, 507, 512, 601, 602, 658, 660, 663, 2377, 2529, 3967, 4154, 4247, 4454, 4706, 4986, 5038, 5501, 5508
Chi V 3 Ch
0
Dipole Mag
3.200593.216373.216423.21653.2166
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
17.635
Es Sum Ss O
4.861
Es Sum T Ch
0
Es Sum Ts C
0
Kappa 1 Am
10.5899
Kappa 2 Am
4.6643
Kappa 3 Am
3.066
Num Hdonors
2
Num Chains
4
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
4.589
Es Sum Aa Nh
0
Es Sum Aaa C
0
Es Sum Aas C
0.999
Es Sum Aas N
0
Es Sum D Ch2
0
Es Sum Dds N
0
Es Sum Ds Ch
2.44
Es Sum Dss C
-1.017
Es Sum S Ch3
1.43
Es Sum S Nh2
0
Es Sum S Nh3
0
Es Sum Ss Nh
0
Es Sum Sss N
0
Jurs Dpsa 1
-152.606-158.484-158.834
Jurs Dpsa 3
63.511163.593663.8155
Jurs Fnsa 1
0.707590.713290.71496
Jurs Fnsa 2
-1.03945-1.04784-1.05028
Jurs Fnsa 3
-0.15252-0.15309-0.15429
Jurs Fpsa 1
0.285030.28670.2924
Jurs Fpsa 2
0.154650.155560.15865
Jurs Fpsa 3
0.018650.018820.01932
Jurs Pnsa 1
260.085264.14264.997
Jurs Pnsa 2
-382.064-388.021-389.28
Jurs Pnsa 3
-56.5552-56.6616-56.7113
Jurs Ppsa 1
105.305106.513107.479
Jurs Ppsa 3
6.932056.955857.10422
Jurs Wnsa 1
95.597797.585298.449
Jurs Wnsa 2
-140.433-143.352-144.621
Jurs Wnsa 3
-20.845-20.8941-21.0504
Jurs Wpsa 1
38.904639.505539.5707
Jurs Wpsa 3
2.56982.575322.61125
Num Pi Bonds
0
Tcm Name En
Buerger Figwort;Rice;Rice Spermoderm;Common Chamomile;Chinese Angelica;(Wallich Ligusticum);Timothy;Common Scouring Rush;Fennel Stem and Leaf;Rippleseed Plantain;Spine Date Seed;Jehol Ligusticum;Coastal Glehnia;Hairstalk St. Paulswort;Decumbent Corydalis;Garden Lovage;Grecian Silkvine;Furcate Angelica*;Dioecious Nettle;Chaxiong Ligusticum;Western Hemlock;Hyacinth Falselily;Common Caper;Laxflower Valeriana*;Common Beet;Dahurian Bugbane;Shortlobe Ligusticum;Common Japanese Clubmoss;Lemon Root;Ovatepetal Sandwort;Asafetida Giantfennel Resin;Selago-like Climbing Fern;Pilose Asiabell;Cowparsnipleaf Bugbane;Garden Radish Seed;Manchurian Dutchmanspipe;Cholla;Chinese Ligusticum;Curinary Asparagus;Lemonlike Citrus Leaf;Vaginate Hemlockparsley;Taiwan Butterbur*;Ovate Catalpa Bast;Corsican Pine;Garden Radish;British Inula;Officinal Dandelion;Bugbane;Iva Bugle*;Figwortflower Picrorhiza;Taiwan Hibiscus ;Chinese Goldthread;Common Onion;Bastardtoadflaxlike Swallowwort;Incised Notopterygium;Picrorhiza;Foetid Giantfennel*;Lemon PericarpDandelionFagopyrum dibotrys; Roasted Ginger; Rhizoma Cimicifugae; Perillaseed; Pericarpium Citri Reticulatae; Andrographis paniculata; Rumex japonicus; Cimicifuga foetidaRhizoma et Radix Notopterygii;Coix lachryma-jobiZHI KE; Poria cocos
Level1 Name
1.解表药(28-28)2.清热药(64-64)2.清热药(64-64); 7.止血药(25-26); 1.解表药(28-28); 9.化痰止咳平喘药(34-34); 5.理气药(22-22); 4.利水渗湿药(27-27)
Level2 Name
1.利水消肿药(11-11)1.发散风寒药(16-16)3.清热解毒药(30-30)3.清热解毒药(30-30); 4.温经止血药(3-3); 2.发散风热药(12-12); 3.止咳平喘药(11-11); 1.凉血止血药(8-9)
Admet Psa 2 D
67.861
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
1
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
4
Num H Donors
2
Admet Alog P98
1.669
Admet Ext Ppb
-1.45379
Drug Likeness
0.715
Es Count Aa Ch
3
Es Count Aa Nh
0
Es Count Aaa C
0
Es Count Aas C
3
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
1
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
3
Num Fragments
1
Num Hydrogens
10
Num Ring Bonds
6
Organic Count
14
Rad Of Gyration
2.426662.462792.46282.46282
Shadow Xyfrac
0.596850.61083
Shadow Xzfrac
0.809790.81481
Shadow Yzfrac
0.792320.79722
Strain Energy
16.0916.116.73
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
194.058
Molecular Sasa
371.581
Num Metal Atoms
0
Num Rings9 Plus
0
Shadow Xlength
11.662811.810611.8107
Shadow Ylength
7.957517.957527.957567.95767.957628.2287
Shadow Zlength
3.400083.400093.400123.40023.40027
Level1 Name En
dampness-resolving medicinalexterior-releasing medicinalheat-clearing medicinalheat-clearing medicinal; hemostatic medicinal; exterior-releasing medicinal; cough-suppressing and panting-calming medicinal; qi-regulating medicinal
Level2 Name En
heat-clearing and detoxicating medicinalheat-clearing and detoxicating medicinal; meridian-warming hemostatic medicinal; wind-heat dispersing; cough-suppressing and panting-calming medicinal; blood-cooling hemostatic medicinalwater-draining and swelling-dispersing medicinalwind-cold-dispersing
Admet Bbb Level
3
Isomeric Smiles
COC1=C(C=CC(=C1)/C=C/C(=O)O)O
Molecular Savol
330.208
Molecule Weight
192.23|194.18
Num Atom Classes
14
Num Bridge Bonds
0
Num H Acceptors
4
Num Repeat Units
0
Admet Ext Cyp2 D6
-7.42105
Admet Solubility
-1.592
Canonical Smiles
COC1=C(C=CC(=C1)C=CC(=O)O)O
Herb Alias Names
ferulic acidtrans-Ferulic Acid1135-24-6537-98-44-Hydroxy-3-methoxycinnamic acidtrans-4-Hydroxy-3-methoxycinnamic acid(E)-Ferulic acid3-(4-Hydroxy-3-methoxyphenyl)acrylic acidferulateConiferic acid
Minimized Energy
-1.66-1.74
Molecular Volume
146.8147.48147.83
Molecular Weight
194.18194.184
Molecule Formula
C10H0O4|C10H10O4
Num Macro Chains
0
Molecular Formula
C10H10O4
Molecular Formula
C10H10O4
Num Rotatable Bonds
3
Num Aromatic Bonds
6
Num Aromatic Rings
1
Num Explicit Atoms
14
Num Explicit Bonds
14
Num Negative Atoms
0
Num Positive Atoms
0
Link Ingredient Id
1860.0
Num Macro Residues
0
Num Ring Assemblies
1
Num Rotatable Bonds
3
Molecular Polar Sasa
120.524
Num Bridge Head Atoms
0
Num Chain Assemblies
3
Num Meso Stereo Atoms
0
Molecular Solubility
-2.127
Admet Ext Hepatotoxic
-8.58263
Admet Unknown Alog P98
0
Molecular Surface Area
205.11
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
1
Num H Acceptors Lipinski
4
Molecular Polar Surface Area
66.7566.76
Admet Ext Cyp2 D6#Prediction
0
Molecular Fractional Polar Sasa
0.324
Admet Ext Ppb Applicability#Md
11.9462
Admet Ext Hepatotoxic#Prediction
0
Admet Ext Cyp2 D6 Applicability#Md
11.8063
Admet Ext Ppb Applicability#Mdpvalue
0.106540.106551
Molecular Fractional Polar Surface Area
0.325
Admet Ext Hepatotoxic Applicability#Md
9.6793
Admet Ext Cyp2 D6 Applicability#Mdpvalue
0.004456
Admet Ext Hepatotoxic Applicability#Mdpvalue
0.17015