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SCFBio, IIT Delhi Hauz Khas, New Delhi
Structure
Compound BIMP008953

(1E,2R,3R)-2-(3,5-dihydroxyphenyl)-1-[[(2S,3S)-3-(3,5-dihydroxyphenyl)-2-(4-hydroxyphenyl)-2,3-dihydro-1-benzofuran-5-yl]methylidene]-3-(4-hydroxyphenyl)-2,3-dihydroindene-4,6-diol

Formula: C42H32O9  |  Mol. Weight: 680.70 g/mol

IUPAC: (1E,2R,3R)-2-(3,5-dihydroxyphenyl)-1-[[(2S,3S)-3-(3,5-dihydroxyphenyl)-2-(4-hydroxyphenyl)-2,3-dihydro-1-benzofuran-5-yl]methylidene]-3-(4-hydroxyphenyl)-2,3-dihydroindene-4,6-diol

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Overview

Molecular Formula C42H32O9
Molecular Weight 680.70 g/mol
Canonical SMILES C1=CC(=CC=C1C2C(C(=CC3=CC4=C(C=C3)OC(C4C5=CC(=CC(=C5)O)O)C6=CC=C(C=C6)O)C7=C2C(=CC(=C7)O)O)C8=CC(=CC(=C8)O)O)O

Structure (2D/3D)

Chemical Identifiers

Chemical Properties

Compound Classification

Pharmacokinetics (GIA/BBB)

Druglikeness Rules

Taxonomy