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SCFBio, IIT Delhi Hauz Khas, New Delhi
Structure
Compound BIMP000263

Alopecurone A

Formula: C39H38O9  |  Mol. Weight: 650.70 g/mol

IUPAC: (2S,3S,7S)-7-(2,4-dihydroxyphenyl)-3-(3,5-dihydroxyphenyl)-4-hydroxy-2-(4-hydroxyphenyl)-9-(5-methyl-2-prop-1-en-2-ylhex-4-enyl)-2,3,6,7-tetrahydrofuro[3,2-g]chromen-5-one

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Overview

Molecular Formula C39H38O9
Molecular Weight 650.70 g/mol
Canonical SMILES CC(=CCC(CC1=C2C(=C(C3=C1OC(CC3=O)C4=C(C=C(C=C4)O)O)O)C(C(O2)C5=CC=C(C=C5)O)C6=CC(=CC(=C6)O)O)C(=C)C)C

Structure (2D/3D)

Chemical Identifiers

Chemical Properties

Compound Classification

Pharmacokinetics (GIA/BBB)

Druglikeness Rules

Taxonomy