Avenanthramide C
2-[[(E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]amino]-5-hydroxybenzoic acid
Molecular Identity
Avenanthramide C
2-[[(E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]amino]-5-hydroxybenzoic acid
PubChem CID: 11723200
2-{[(2E)-3-(3,4-dihydroxyphenyl)-1-hydroxyprop-2-en-1-ylidene]amino}-5-hydroxybenzoic acid is an alkaloid and a member of benzamides.
2D Structure
Properties
C16H13NO6
Molecular Formula
315.28
Molecular Weight
g/mol
315.0743
Exact Mass
Da
2.1
XLogP
Drug-like (Lipinski: < 5)
127
TPSA
Good oral absorption (< 140 A²)
5
H-Bond Donors
6
H-Bond Acceptors
465
Complexity
SMILES
Canonical SMILES
SMILES: C1=CC(=C(C=C1C=CC(=O)NC2=C(C=C(C=C2)O)C(=O)O)O)OIsomeric SMILES
SMILES: C1=CC(=C(C=C1/C=C/C(=O)NC2=C(C=C(C=C2)O)C(=O)O)O)OSynonyms(20)
Avenanthramide C116764-15-9Avenanthramide BCBenzoic acid, 2-(((2E)-3-(3,4-dihydroxyphenyl)-1-oxo-2-propen-1-yl)amino)-5-hydroxy-2-[[(E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]amino]-5-hydroxybenzoic acidDTXSID601515072-[(2E)-3-(3,4-dihydroxyphenyl)prop-2-enamido]-5-hydroxybenzoic acid2-(((E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl)amino)-5-hydroxybenzoic acid2-((2E)-3-(3,4-dihydroxyphenyl)prop-2-enamido)-5-hydroxybenzoic acidRefChem:560399DTXCID6073998Avenanthramide 2CAvenanthramide5FRF61BOYU(E)-2-(3-(3,4-Dihydroxyphenyl)acrylamido)-5-hydroxybenzoic acid
Data from PubChem (NCBI)
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