Molecular Identity
Homovanillic Acid
2-(4-hydroxy-3-methoxyphenyl)acetic acid
PubChem CID: 1738
Homovanillic acid is a monocarboxylic acid that is the 3-O-methyl ether of (3,4-dihydroxyphenyl)acetic acid. It is a catecholamine metabolite. It has a role as a mouse metabolite and a human metabolite. It is a member of guaiacols and a monocarboxylic acid. It is functionally related to a (3,4-dihydroxyphenyl)acetic acid. It is a conjugate acid of a homovanillate.
2D Structure
Properties
C9H10O4
Molecular Formula
182.17
Molecular Weight
g/mol
182.0579
Exact Mass
Da
0.4
XLogP
Drug-like (Lipinski: < 5)
66.8
TPSA
Good oral absorption (< 140 A²)
2
H-Bond Donors
4
H-Bond Acceptors
180
Complexity
SMILES
Canonical SMILES
SMILES: COC1=C(C=CC(=C1)CC(=O)O)OIsomeric SMILES
SMILES: COC1=C(C=CC(=C1)CC(=O)O)OSynonyms(20)
Homovanillic acid306-08-14-Hydroxy-3-methoxyphenylacetic acid2-(4-hydroxy-3-methoxyphenyl)acetic acidBenzeneacetic acid, 4-hydroxy-3-methoxy-Vanillacetic acid3-Methoxy-4-hydroxyphenylacetic acid4-Hydroxy-3-methoxybenzeneacetic acid(4-HYDROXY-3-METHOXYPHENYL)ACETIC ACIDAcetic acid, (4-hydroxy-3-methoxyphenyl)-X77S6GMS36DTXSID5059791HMDB00118NSC-16682CHEBI:545959
Data from PubChem (NCBI)
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Drug Network
Trials and conditions connected to Homovanillic Acid
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