Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
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Herb: 5Ingredient: 1Target: 12Links: 17
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 26526
- Core Entity Id
- 32673
- Source Entity Count
- 1
- Preferred Name
- M-methoxycinnamic acid
- Name En
- Pubchem Id
- 5285554
- Smiles Canonical
- COC1=CC=C(C=C1)C=CC(=O)[O-]
- Molecular Formula
- C10H10O3
- Molecular Weight
- 178.1870
- Inchikey
- LZPNXAULYJPXEH-AATRIKPKSA-N
- Inchi
- InChI=1S/C10H10O3/c1-13-9-4-2-3-8(7-9)5-6-10(11)12/h2-7H,1H3,(H,11,12)/b6-5+
- Isomeric Smiles
- COC1=CC=CC(=C1)/C=C/C(=O)O
- Cas Id
- 1533748
- Ob Score
- 91.0060
- Mol Logp
- 1.7930
- Num H Donors
- 1
- Num H Acceptors
- 2
- Num Rotatable Bonds
- 3
- Drug Likeness
- 0.7180
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
M-Methoxycinnamic Acid
Role
preferred
Source
SymMap_v2
Preferred
Yes
Name
M-methoxycinnamic acid
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
M-methoxycinnamic acid
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
m-Methoxycinnamic acid
Role
preferred
Source
ETCM_v2
Preferred
Yes
Name
m-methoxycinnamic acid
Role
preferred
Source
TCMBank
Preferred
Yes
Name
(2E)-3-(3-methoxyphenyl)acrylic acid
Role
alias
Source
itcmdb_public
Preferred
No
Name
(2E)-3-(3-methoxyphenyl)acrylic acid
Role
alias
Source
HERB_v2
Preferred
No
Name
(2E)-3-(3-methoxyphenyl)prop-2-enoic acid
Role
alias
Source
itcmdb_public
Preferred
No
Name
(2E)-3-(3-methoxyphenyl)prop-2-enoic acid
Role
alias
Source
HERB_v2
Preferred
No
Name
(2E)-3-(4-methoxyphenyl)prop-2-enoate
Role
alias
Source
TCMBank
Preferred
No
Name
(E)-3-(3-Methoxyphenyl)acrylic acid
Role
alias
Source
itcmdb_public
Preferred
No
Name
(E)-3-(3-Methoxyphenyl)acrylic acid
Role
alias
Source
HERB_v2
Preferred
No
Name
(E)-3-(3-methoxyphenyl)prop-2-enoic acid
Role
alias
Source
itcmdb_public
Preferred
No
Name
(E)-3-(3-methoxyphenyl)prop-2-enoic acid
Role
alias
Source
HERB_v2
Preferred
No
Name
(E)-3-(4-methoxyphenyl)-2-propenoate
Role
alias
Source
TCMBank
Preferred
No
Name
(E)-3-(4-methoxyphenyl)prop-2-enoate
Role
alias
Source
TCMBank
Preferred
No
Name
17570-26-2
Role
alias
Source
HERB_v2
Preferred
No
Name
17570-26-2
Role
alias
Source
itcmdb_public
Preferred
No
Name
2-Propenoic acid, 3-(3-methoxyphenyl)-, (2E)-
Role
alias
Source
HERB_v2
Preferred
No
Name
2-Propenoic acid, 3-(3-methoxyphenyl)-, (2E)-
Role
alias
Source
itcmdb_public
Preferred
No
Name
3-(3-Methoxyphenyl)acrylic acid
Role
alias
Source
itcmdb_public
Preferred
No
Name
3-(3-Methoxyphenyl)acrylic acid
Role
alias
Source
HERB_v2
Preferred
No
Name
3-Methoxycinnamic acid
Role
alias
Source
itcmdb_public
Preferred
No
Name
3-Methoxycinnamic acid
Role
alias
Source
HERB_v2
Preferred
No
Name
6099-04-3
Role
alias
Source
itcmdb_public
Preferred
No
Name
6099-04-3
Role
alias
Source
HERB_v2
Preferred
No
Name
A0751/0035071
Role
alias
Source
TCMBank
Preferred
No
Name
A840486
Role
alias
Source
TCMBank
Preferred
No
Name
AC1NR68K
Role
alias
Source
TCMBank
Preferred
No
Name
AKOS001710552
Role
alias
Source
TCMBank
Preferred
No
Name
CJ-00607
Role
alias
Source
TCMBank
Preferred
No
Name
ST4015246
Role
alias
Source
TCMBank
Preferred
No
Name
STK870153
Role
alias
Source
TCMBank
Preferred
No
Name
ZB002768
Role
alias
Source
TCMBank
Preferred
No
Name
m-methoxycinnamicacid
Role
alias
Source
TCMBank
Preferred
No
Name
trans-4-4ethoxycinnamic acid
Role
alias
Source
TCMBank
Preferred
No
Aliases
Additional names normalized into the restored final schema.
(2E)-3-(3-methoxyphenyl)acrylic acid(2E)-3-(3-methoxyphenyl)prop-2-enoic acid(2E)-3-(4-methoxyphenyl)prop-2-enoate(E)-3-(3-Methoxyphenyl)acrylic acid(E)-3-(3-methoxyphenyl)prop-2-enoic acid(E)-3-(4-methoxyphenyl)-2-propenoate(E)-3-(4-methoxyphenyl)prop-2-enoate17570-26-22-Propenoic acid, 3-(3-methoxyphenyl)-, (2E)-3-(3-Methoxyphenyl)acrylic acid3-Methoxycinnamic acid6099-04-3A0751/0035071A840486AC1NR68KAKOS001710552CJ-00607ST4015246STK870153ZB002768m-methoxycinnamicacidtrans-4-4ethoxycinnamic acid
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN035602
Npass
NPC2517
Tcmid
1387724377
Tcmsp
MOL011958
Sym Map
SMIT00366SMIT16487
Tcm Id
1542
Pub Chem
5285554637668
Tcmbank
TCMBANKIN014599
Etcm Ingredient
m-Methoxycinnamic acid
Itcmdb Generated
ITX-INGREDIENT-C19CE956AE7B
Attributes
Merged source attributes and domain-specific metadata.
Type
Other ingredients
In Ch I
InChI=1S/C10H10O3/c1-13-9-4-2-3-8(7-9)5-6-10(11)12/h2-7H,1H3,(H,11,12)/b6-5+
Mol Wt
178.187
Cas Id
1533748
Smiles
COC1=CC=C(C=C1)C=CC(=O)[O-]
Mol Log P
1.793
Version
v1,v2
In Ch Ikey
LZPNXAULYJPXEH-AATRIKPKSA-N
Ob Score
91.0059945191.00599591.006
Suppress
0
Num Hdonors
1
Drug Likeness
0.718
Num Hacceptors
2
Isomeric Smiles
COC1=CC=CC(=C1)/C=C/C(=O)O
Molecule Weight
178.2
Canonical Smiles
COC1=CC=CC(=C1)C=CC(=O)O
Herb Alias Names
3-Methoxycinnamic acid17570-26-23-(3-Methoxyphenyl)acrylic acid6099-04-3(2E)-3-(3-methoxyphenyl)acrylic acid(E)-3-(3-Methoxyphenyl)acrylic acid(2E)-3-(3-methoxyphenyl)prop-2-enoic acid2-Propenoic acid, 3-(3-methoxyphenyl)-, (2E)-(E)-3-(3-methoxyphenyl)prop-2-enoic acid
Molecular Weight
178.060
Molecular Weight
177.18 g/mol
Molecule Formula
C10H10O3
Molecular Formula
C10H10O3
Molecular Formula
C10H9O3-
Molecular Formula
C10H10O3
Num Rotatable Bonds
3
Fda Maximum Daily Dose (Fdamdd)
0.068
Quantitative Estimate Of Drug Likeness（Qed）
0.718