Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
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Herb: 12Ingredient: 1Target: 12Links: 24
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 14523
- Core Entity Id
- 19308
- Source Entity Count
- 1
- Preferred Name
- Cinnamic acid,3,4-dimethoxy-(8ci)
- Name En
- Pubchem Id
- 1585026
- Smiles Canonical
- COC1=C(C=C(C=C1)C=CC(=O)O)OC
- Molecular Formula
- C11H12O4
- Molecular Weight
- 208.2130
- Inchikey
- HJBWJAPEBGSQPR-XQRVVYSFSA-N
- Inchi
- InChI=1S/C11H12O4/c1-14-9-5-3-8(4-6-11(12)13)7-10(9)15-2/h3-7H,1-2H3,(H,12,13)/b6-4-
- Isomeric Smiles
- COC1=C(C=C(C=C1)/C=C\C(=O)O)OC
- Cas Id
- 2316-26-9
- Ob Score
- 63.8616
- Mol Logp
- 1.8016
- Num H Donors
- 1
- Num H Acceptors
- 3
- Num Rotatable Bonds
- 4
- Drug Likeness
- 0.7660
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
Cinnamic Acid, 3,4-Dimethoxy- (8Ci)
Role
preferred
Source
SymMap_v2
Preferred
Yes
Name
Cinnamic acid,3,4-dimethoxy-(8ci)
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
Cinnamic acid,3,4-dimethoxy-(8ci)
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
(2Z)-3-(3,4-Dimethoxyphenyl)-2-propenoic acid
Role
alias
Source
itcmdb_public
Preferred
No
Name
(2Z)-3-(3,4-Dimethoxyphenyl)-2-propenoic acid
Role
alias
Source
HERB_v2
Preferred
No
Name
(Z)-3,4-Dimethoxycinnamic acid
Role
alias
Source
itcmdb_public
Preferred
No
Name
(Z)-3,4-Dimethoxycinnamic acid
Role
alias
Source
HERB_v2
Preferred
No
Name
(Z)-3-(3,4-dimethoxyphenyl)prop-2-enoic acid
Role
alias
Source
itcmdb_public
Preferred
No
Name
(Z)-3-(3,4-dimethoxyphenyl)prop-2-enoic acid
Role
alias
Source
HERB_v2
Preferred
No
Name
14737-88-3
Role
alias
Source
HERB_v2
Preferred
No
Name
14737-88-3
Role
alias
Source
itcmdb_public
Preferred
No
Name
1EUC2RA0WK
Role
alias
Source
itcmdb_public
Preferred
No
Name
1EUC2RA0WK
Role
alias
Source
HERB_v2
Preferred
No
Name
2-Propenoic acid, 3-(3,4-dimethoxyphenyl)-, (2Z)-
Role
alias
Source
itcmdb_public
Preferred
No
Name
2-Propenoic acid, 3-(3,4-dimethoxyphenyl)-, (2Z)-
Role
alias
Source
HERB_v2
Preferred
No
Name
2-Propenoic acid, 3-(3,4-dimethoxyphenyl)-, (Z)-
Role
alias
Source
itcmdb_public
Preferred
No
Name
2-Propenoic acid, 3-(3,4-dimethoxyphenyl)-, (Z)-
Role
alias
Source
HERB_v2
Preferred
No
Name
3,4-Dimethoxycinnamic acid, (Z)-
Role
alias
Source
HERB_v2
Preferred
No
Name
3,4-Dimethoxycinnamic acid, (Z)-
Role
alias
Source
itcmdb_public
Preferred
No
Name
Cinnamic acid, 3,4-dimethoxy-, (Z)-
Role
alias
Source
HERB_v2
Preferred
No
Name
Cinnamic acid, 3,4-dimethoxy-, (Z)-
Role
alias
Source
itcmdb_public
Preferred
No
Name
UNII-1EUC2RA0WK
Role
alias
Source
HERB_v2
Preferred
No
Name
UNII-1EUC2RA0WK
Role
alias
Source
itcmdb_public
Preferred
No
Aliases
Additional names normalized into the restored final schema.
Cinnamic Acid, 3,4-Dimethoxy- (8Ci)(2Z)-3-(3,4-Dimethoxyphenyl)-2-propenoic acid(Z)-3,4-Dimethoxycinnamic acid(Z)-3-(3,4-dimethoxyphenyl)prop-2-enoic acid14737-88-31EUC2RA0WK2-Propenoic acid, 3-(3,4-dimethoxyphenyl)-, (2Z)-2-Propenoic acid, 3-(3,4-dimethoxyphenyl)-, (Z)-3,4-Dimethoxycinnamic acid, (Z)-Cinnamic acid, 3,4-dimethoxy-, (Z)-UNII-1EUC2RA0WK
Cross References
Trusted external identifiers retained for this final record.
Cas
2316-26-9
Herb
HBIN020658
Npass
NPC154792
Tcmid
233812888
Tcmsp
MOL004095
Sym Map
SMIT06071SMIT18350
Tcm Id
6026
Pub Chem
1585026
Attributes
Merged source attributes and domain-specific metadata.
Type
Other ingredients
In Ch I
InChI=1S/C11H12O4/c1-14-9-5-3-8(4-6-11(12)13)7-10(9)15-2/h3-7H,1-2H3,(H,12,13)/b6-4-
Mol Wt
208.213
Cas Id
2316-26-9
Mol Log P
1.8016
Version
v1,v2
In Ch Ikey
HJBWJAPEBGSQPR-XQRVVYSFSA-N
Ob Score
63.8616301163.862
Suppress
0
Num Hdonors
1
Drug Likeness
0.766
Num Hacceptors
3
Isomeric Smiles
COC1=C(C=C(C=C1)/C=C\C(=O)O)OC
Molecule Weight
208.23
Canonical Smiles
COC1=C(C=C(C=C1)C=CC(=O)O)OC
Herb Alias Names
(Z)-3,4-Dimethoxycinnamic acid1EUC2RA0WK14737-88-3(Z)-3-(3,4-dimethoxyphenyl)prop-2-enoic acid3,4-Dimethoxycinnamic acid, (Z)-UNII-1EUC2RA0WKCinnamic acid, 3,4-dimethoxy-, (Z)-(2Z)-3-(3,4-Dimethoxyphenyl)-2-propenoic acid2-Propenoic acid, 3-(3,4-dimethoxyphenyl)-, (2Z)-2-Propenoic acid, 3-(3,4-dimethoxyphenyl)-, (Z)-
Molecular Formula
C11H12O4
Num Rotatable Bonds
4