(2E)-3-[(2S,3S)-2-(4-hydroxy-3,5-dimethoxyphenyl)-3-(hydroxymethyl)-2,3-dihydro-1,4-benzodioxin-6-yl]-N-[2-(4-hydroxyphenyl)ethyl]prop-2-enamide

AlkaPlorer ID: AK409849

Synonym: None

IUPAC Name: 3-[2-(4-hydroxy-3,5-dimethoxyphenyl)-3-(hydroxymethyl)-2,3-dihydro-1,4-benzodioxin-6-yl]-N-[2-(4-hydroxyphenyl)ethyl]prop-2-enamide

Structure

SMILES: COC1=CC(C2OC3=CC=C(C=CC(O)=NCCC4=CC=C(O)C=C4)C=C3OC2CO)=CC(OC)=C1O

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InChI: InChI=1S/C28H29NO8/c1-34-23-14-19(15-24(35-2)27(23)33)28-25(16-30)36-22-13-18(5-9-21(22)37-28)6-10-26(32)29-12-11-17-3-7-20(31)8-4-17/h3-10,13-15,25,28,30-31,33H,11-12,16H2,1-2H3,(H,29,32)

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InChIKey: IGDCFSHZJNAISI-UHFFFAOYSA-N

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Source

Properties Information

Molecule Weight: 507.5390000000002

TPSA: 130.20000000000002

MolLogP: 4.200800000000004

Number of H-Donors: 4

Number of H-Acceptors: 8

RingCount: 4

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi

Metabolism Information