(+-)-Demethylgrossamide

AlkaPlorer ID: AK058760

Synonym: ''

IUPAC Name: (2R,3S)-2-(3,4-dihydroxyphenyl)-N-[2-(4-hydroxyphenyl)ethyl]-5-[(E)-3-[2-(4-hydroxyphenyl)ethylamino]-3-oxoprop-1-enyl]-7-methoxy-2,3-dihydro-1-benzofuran-3-carboxamide

Structure

SMILES: COC1=CC(/C=C/C(O)=NCCC2=CC=C(O)C=C2)=CC2=C1O[C@@H](C1=CC=C(O)C(O)=C1)[C@H]2C(O)=NCCC1=CC=C(O)C=C1

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InChI: InChI=1S/C35H34N2O8/c1-44-30-19-23(6-13-31(42)36-16-14-21-2-8-25(38)9-3-21)18-27-32(35(43)37-17-15-22-4-10-26(39)11-5-22)33(45-34(27)30)24-7-12-28(40)29(41)20-24/h2-13,18-20,32-33,38-41H,14-17H2,1H3,(H,36,42)(H,37,43)/b13-6+/t32-,33-/m0/s1

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InChIKey: YBUBLAJQIDHBCG-KHTQKFKVSA-N

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Source

Species Genus Family Order Class Phylum Kingdom Domain
Xylopia aethiopica Xylopia Annonaceae Magnoliales Magnoliopsida Streptophyta Viridiplantae Eukaryota

Properties Information

Molecule Weight: 610.6630000000002

TPSA: 164.55999999999997

MolLogP: 6.1465000000000085

Number of H-Donors: 6

Number of H-Acceptors: 8

RingCount: 5

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi

Metabolism Information