Dataset-S1.183

AlkaPlorer ID: AK008222

Synonym: 'ConMedNP.2982'

IUPAC Name: (E)-N-[(2S)-2-hydroxy-2-(4-hydroxyphenyl)ethyl]-3-(4-hydroxyphenyl)prop-2-enamide

Structure

SMILES: OC(/C=C/C1=CC=C(O)C=C1)=NC[C@@H](O)C1=CC=C(O)C=C1

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InChI: InChI=1S/C17H17NO4/c19-14-6-1-12(2-7-14)3-10-17(22)18-11-16(21)13-4-8-15(20)9-5-13/h1-10,16,19-21H,11H2,(H,18,22)/b10-3+/t16-/m1/s1

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InChIKey: VATOSFCFMOPAHX-ZAFLOJKISA-N

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Source

Properties Information

Molecule Weight: 299.326

TPSA: 93.28

MolLogP: 2.801100000000001

Number of H-Donors: 4

Number of H-Acceptors: 4

RingCount: 2

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi

Metabolism Information