Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
Click a node to open it in a new tab
Herb: 8Ingredient: 1Target: 3Links: 11
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 25946
- Core Entity Id
- 32031
- Source Entity Count
- 1
- Preferred Name
- Methoxycinnamic acid
- Name En
- Pubchem Id
- 7021154
- Smiles Canonical
- COC(=CC1=CC=CC=C1)C(=O)O
- Molecular Formula
- C10H10O3
- Molecular Weight
- 178.1870
- Inchikey
- CNXZMGRWEYQCOQ-UHFFFAOYSA-N
- Inchi
- InChI=1S/C10H10O3/c1-13-9(10(11)12)7-8-5-3-2-4-6-8/h2-7H,1H3,(H,11,12)
- Isomeric Smiles
- COC(=CC1=CC=CC=C1)C(=O)O
- Cas Id
- Ob Score
- Mol Logp
- 1.7585
- Num H Donors
- 1
- Num H Acceptors
- 2
- Num Rotatable Bonds
- 3
- Drug Likeness
- 0.5660
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
Methoxycinnamic Acid
Role
Molecule_name
Source
SymMap_v2
Preferred
Yes
Name
Methoxycinnamic acid
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
Ρ-Methoxycinnamic Acid
Role
preferred
Source
SymMap_v2
Preferred
Yes
Name
Ρ-methoxycinnamic acid
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
ρ-methoxycinnamic acid
Role
preferred
Source
TCMBank
Preferred
Yes
Name
1081778-14-4
Role
alias
Source
HERB_v2
Preferred
No
Name
1081778-14-4
Role
alias
Source
itcmdb_public
Preferred
No
Name
2-methoxy-3-phenylprop-2-enoic acid
Role
alias
Source
HERB_v2
Preferred
No
Name
2-methoxy-3-phenylprop-2-enoic acid
Role
alias
Source
itcmdb_public
Preferred
No
Name
AKOS033634076
Role
alias
Source
HERB_v2
Preferred
No
Name
AKOS033634076
Role
alias
Source
itcmdb_public
Preferred
No
Name
SCHEMBL83065
Role
alias
Source
itcmdb_public
Preferred
No
Name
SCHEMBL83065
Role
alias
Source
HERB_v2
Preferred
No
Aliases
Additional names normalized into the restored final schema.
Ρ-Methoxycinnamic Acid1081778-14-42-methoxy-3-phenylprop-2-enoic acidAKOS033634076SCHEMBL83065
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN034851HBIN049238
Tcmid
2497438151
Sym Map
SMIT02369SMIT27665
Tcm Id
2747
Pub Chem
7021154
Tcmbank
TCMBANKIN011216TCMBANKIN028129
Itcmdb Generated
ITX-INGREDIENT-446C976CB28D
Attributes
Merged source attributes and domain-specific metadata.
Type
Other ingredients
In Ch I
InChI=1S/C10H10O3/c1-13-9(10(11)12)7-8-5-3-2-4-6-8/h2-7H,1H3,(H,11,12)
Mol Wt
178.187
Smiles
COC(=CC1=CC=CC=C1)C(=O)O
Mol Log P
1.7585
Version
v1,v2v2
In Ch Ikey
CNXZMGRWEYQCOQ-UHFFFAOYSA-N
Suppress
0
Num Hdonors
1
Drug Likeness
0.566
Num Hacceptors
2
Isomeric Smiles
COC(=CC1=CC=CC=C1)C(=O)O
Canonical Smiles
COC(=CC1=CC=CC=C1)C(=O)O
Herb Alias Names
2-methoxy-3-phenylprop-2-enoic acid1081778-14-4SCHEMBL83065AKOS033634076
Molecular Weight
178.18 g/mol
Molecular Formula
C10H10O3
Molecular Formula
C10H10O3
Num Rotatable Bonds
3