Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
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Herb: 1Ingredient: 1Target: 1Links: 2
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 30283
- Core Entity Id
- 36845
- Source Entity Count
- 1
- Preferred Name
- P-methoxyphenylpropionic acid
- Name En
- Pubchem Id
- 257576
- Smiles Canonical
- CC(C1=CC=C(C=C1)OC)C(=O)O
- Molecular Formula
- C10H12O3
- Molecular Weight
- 180.2030
- Inchikey
- KBDLTYNZHQRMQC-UHFFFAOYSA-N
- Inchi
- InChI=1S/C10H12O3/c1-7(10(11)12)8-3-5-9(13-2)6-4-8/h3-7H,1-2H3,(H,11,12)
- Isomeric Smiles
- CC(C1=CC=C(C=C1)OC)C(=O)O
- Cas Id
- Ob Score
- Mol Logp
- 1.8833
- Num H Donors
- 1
- Num H Acceptors
- 2
- Num Rotatable Bonds
- 3
- Drug Likeness
- 0.7720
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
P-Methoxyphenylpropionic Acid
Role
Molecule_name
Source
SymMap_v2
Preferred
Yes
Name
P-Methoxyphenylpropionic Acid
Role
preferred
Source
SymMap_v2
Preferred
Yes
Name
P-methoxyphenylpropionic acid
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
P-methoxyphenylpropionic acid
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
p-methoxyphenylpropionic acid
Role
preferred
Source
TCMBank
Preferred
Yes
Name
2-(4-Methoxyphenyl)propanoic acid
Role
alias
Source
HERB_v2
Preferred
No
Name
2-(4-Methoxyphenyl)propanoic acid
Role
alias
Source
itcmdb_public
Preferred
No
Name
2-(4-Methoxyphenyl)propionic Acid
Role
alias
Source
itcmdb_public
Preferred
No
Name
2-(4-methoxyphenyl)-propionic acid
Role
alias
Source
HERB_v2
Preferred
No
Name
942-54-1
Role
alias
Source
itcmdb_public
Preferred
No
Name
942-54-1
Role
alias
Source
HERB_v2
Preferred
No
Name
Benzeneacetic acid, 4-methoxy-a-methyl-
Role
alias
Source
itcmdb_public
Preferred
No
Name
Benzeneacetic acid, 4-methoxy-a-methyl-
Role
alias
Source
HERB_v2
Preferred
No
Name
DTXSID70292819
Role
alias
Source
HERB_v2
Preferred
No
Name
DTXSID70292819
Role
alias
Source
itcmdb_public
Preferred
No
Name
MFCD00969551
Role
alias
Source
itcmdb_public
Preferred
No
Name
MFCD00969551
Role
alias
Source
HERB_v2
Preferred
No
Name
NSC85712
Role
alias
Source
itcmdb_public
Preferred
No
Name
NSC85712
Role
alias
Source
HERB_v2
Preferred
No
Name
Propanoic acid, 2-(4-methoxyphenyl)
Role
alias
Source
itcmdb_public
Preferred
No
Name
Propanoic acid, 2-(4-methoxyphenyl)
Role
alias
Source
HERB_v2
Preferred
No
Name
p-Methoxyphenylpropionsaure
Role
alias
Source
itcmdb_public
Preferred
No
Name
p-Methoxyphenylpropionsaure
Role
alias
Source
HERB_v2
Preferred
No
Aliases
Additional names normalized into the restored final schema.
2-(4-Methoxyphenyl)propanoic acid2-(4-Methoxyphenyl)propionic Acid2-(4-methoxyphenyl)-propionic acid942-54-1Benzeneacetic acid, 4-methoxy-a-methyl-DTXSID70292819MFCD00969551NSC85712Propanoic acid, 2-(4-methoxyphenyl)p-Methoxyphenylpropionsaure
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN040336
Npass
NPC109241
Tcmid
38537
Sym Map
SMIT25959
Pub Chem
257576
Tcmbank
TCMBANKIN001114
Itcmdb Generated
ITX-INGREDIENT-22F5E84C1DC7
Attributes
Merged source attributes and domain-specific metadata.
Type
Other ingredients
In Ch I
InChI=1S/C10H12O3/c1-7(10(11)12)8-3-5-9(13-2)6-4-8/h3-7H,1-2H3,(H,11,12)
Mol Wt
180.203
Smiles
CC(C1=CC=C(C=C1)OC)C(=O)O
Mol Log P
1.8833
Version
v2
In Ch Ikey
KBDLTYNZHQRMQC-UHFFFAOYSA-N
Suppress
0
Num Hdonors
1
Drug Likeness
0.772
Num Hacceptors
2
Isomeric Smiles
CC(C1=CC=C(C=C1)OC)C(=O)O
Canonical Smiles
CC(C1=CC=C(C=C1)OC)C(=O)O
Herb Alias Names
2-(4-Methoxyphenyl)propanoic acid942-54-1MFCD00969551DTXSID702928192-(4-methoxyphenyl)-propionic acidPropanoic acid, 2-(4-methoxyphenyl)Benzeneacetic acid, 4-methoxy-a-methyl-2-(4-Methoxyphenyl)propionic AcidNSC85712p-Methoxyphenylpropionsaure
Molecular Weight
180.2 g/mol
Molecular Formula
C10H12O3
Molecular Formula
C10H12O3
Num Rotatable Bonds
3