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
- 19175
- Core Entity Id
- 24493
- Source Entity Count
- 1
- Preferred Name
- Ferulic acid (cis)
- Name En
- Pubchem Id
- 1548883
- Smiles Canonical
- COC1=C(C=CC(=C1)C=CC(=O)O)O
- Molecular Formula
- C10H10O4
- Molecular Weight
- 194.1860
- Inchikey
- KSEBMYQBYZTDHS-HYXAFXHYSA-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
- 1014-83-1
- Ob Score
- 54.9650
- Mol Logp
- 1.4986
- Num H Donors
- 2
- Num H Acceptors
- 3
- Num Rotatable Bonds
- 3
- Drug Likeness
- 0.7150
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
Ferulic Acid (Cis)
Role
Molecule_name
Source
SymMap_v2
Preferred
Yes
Name
FERULIC ACID (CIS)
Role
preferred
Source
ETCM_v2
Preferred
Yes
Name
Ferulic Acid (Cis)
Role
preferred
Source
SymMap_v2
Preferred
Yes
Name
Ferulic acid (cis)
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
Ferulic acid (cis)
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
(2Z)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoic acid
Role
alias
Source
itcmdb_public
Preferred
No
Name
(2Z)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoic acid
Role
alias
Source
HERB_v2
Preferred
No
Name
(Z)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoic acid
Role
alias
Source
itcmdb_public
Preferred
No
Name
(Z)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoic acid
Role
alias
Source
HERB_v2
Preferred
No
Name
1014-83-1
Role
alias
Source
itcmdb_public
Preferred
No
Name
1014-83-1
Role
alias
Source
HERB_v2
Preferred
No
Name
Ferulic acid, Z-
Role
alias
Source
HERB_v2
Preferred
No
Name
Ferulic acid, Z-
Role
alias
Source
itcmdb_public
Preferred
No
Name
NSC674320
Role
alias
Source
HERB_v2
Preferred
No
Name
NSC674320
Role
alias
Source
itcmdb_public
Preferred
No
Name
bmse010061
Role
alias
Source
HERB_v2
Preferred
No
Name
bmse010061
Role
alias
Source
itcmdb_public
Preferred
No
Name
cis-ferulic acid
Role
alias
Source
HERB_v2
Preferred
No
Name
cis-ferulic acid
Role
alias
Source
itcmdb_public
Preferred
No
Aliases
Additional names normalized into the restored final schema.
(2Z)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoic acid(Z)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoic acid1014-83-1Ferulic acid, Z-NSC674320bmse010061cis-ferulic acid
Cross References
Trusted external identifiers retained for this final record.
Cas
1014-83-1
Herb
HBIN026468
Tcmsp
MOL000389
Sym Map
SMIT03001
Pub Chem
1548883
Etcm Ingredient
FERULIC ACID (CIS)
Itcmdb Generated
ITX-INGREDIENT-CFA51A417BF5
Attributes
Merged source attributes and domain-specific metadata.
Type
Other ingredients
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
Cas Id
1014-83-1
Mol Log P
1.4986
Version
v1,v2
In Ch Ikey
KSEBMYQBYZTDHS-HYXAFXHYSA-N
Ob Score
54.96554.96547685
Suppress
0
Num Hdonors
2
Drug Likeness
0.715
Num Hacceptors
3
Isomeric Smiles
COC1=C(C=CC(=C1)/C=C\C(=O)O)O
Molecule Weight
194.2
Canonical Smiles
COC1=C(C=CC(=C1)C=CC(=O)O)O
Herb Alias Names
cis-ferulic acid1014-83-1Ferulic acid, Z-cis - Ferulic AcidCIS-FERULICACID(Z)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoic acidbmse010061NSC674320(2Z)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoic acid
Molecular Weight
194.060
Molecular Formula
C10H10O4
Molecular Formula
C10H10O4
Num Rotatable Bonds
3
Fda Maximum Daily Dose (Fdamdd)
0.076
Quantitative Estimate Of Drug Likeness（Qed）
0.715