2-[(2E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enamido]-3-(4-hydroxyphenyl)propanoic acid

AlkaPlorer ID: AK253943

Synonym: None

IUPAC Name: (2S)-2-[3-(4-hydroxy-3-methoxyphenyl)prop-2-enoylamino]-3-(4-hydroxyphenyl)propanoic acid

Structure

SMILES: COC1=CC(C=CC(O)=N[C@@H](CC2=CC=C(O)C=C2)C(=O)O)=CC=C1O

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InChI: InChI=1S/C19H19NO6/c1-26-17-11-13(4-8-16(17)22)5-9-18(23)20-15(19(24)25)10-12-2-6-14(21)7-3-12/h2-9,11,15,21-22H,10H2,1H3,(H,20,23)(H,24,25)/t15-/m0/s1

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InChIKey: RWAXPZCUFIKMTQ-HNNXBMFYSA-N

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Properties Information

Molecule Weight: 357.3620000000001

TPSA: 119.58

MolLogP: 2.7720000000000016

Number of H-Donors: 4

Number of H-Acceptors: 5

RingCount: 2

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi

Metabolism Information