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SCFBio, IIT Delhi Hauz Khas, New Delhi
Structure
Compound BIMP000424

(E)-1-[3-[(E,3S,5S)-5-hydroperoxy-3,7-bis(4-hydroxyphenyl)hept-1-enyl]-2,4-dihydroxy-6-methoxyphenyl]-3-(4-hydroxyphenyl)prop-2-en-1-one

Formula: C35H34O9  |  Mol. Weight: 598.60 g/mol

IUPAC: (E)-1-[3-[(E,3S,5S)-5-hydroperoxy-3,7-bis(4-hydroxyphenyl)hept-1-enyl]-2,4-dihydroxy-6-methoxyphenyl]-3-(4-hydroxyphenyl)prop-2-en-1-one

Overview

Molecular Formula C35H34O9
Molecular Weight 598.60 g/mol
Canonical SMILES COC1=C(C(=C(C(=C1)O)C=CC(CC(CCC2=CC=C(C=C2)O)OO)C3=CC=C(C=C3)O)O)C(=O)C=CC4=CC=C(C=C4)O

Structure (2D/3D)

Chemical Identifiers

Chemical Properties

Compound Classification

Pharmacokinetics (GIA/BBB)

Druglikeness Rules

Taxonomy