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SCFBio, IIT Delhi Hauz Khas, New Delhi
Structure
Compound BIMP002517

(1R,4S,5R,8S,9S,10R)-9-[(2R,3R)-3-(3,5-dihydroxyphenyl)-6-hydroxy-2-(4-hydroxyphenyl)-2,3-dihydro-1-benzofuran-4-yl]-4,8-dihydroxy-10-(4-hydroxyphenyl)-2,6,11-trioxatricyclo[6.3.0.01,5]undecan-7-one

Formula: C34H28O12  |  Mol. Weight: 628.60 g/mol

IUPAC: (1R,4S,5R,8S,9S,10R)-9-[(2R,3R)-3-(3,5-dihydroxyphenyl)-6-hydroxy-2-(4-hydroxyphenyl)-2,3-dihydro-1-benzofuran-4-yl]-4,8-dihydroxy-10-(4-hydroxyphenyl)-2,6,11-trioxatricyclo[6.3.0.01,5]undecan-7-one

Overview

Molecular Formula C34H28O12
Molecular Weight 628.60 g/mol
Canonical SMILES C1C(C2C3(O1)C(C(C(O3)C4=CC=C(C=C4)O)C5=C6C(C(OC6=CC(=C5)O)C7=CC=C(C=C7)O)C8=CC(=CC(=C8)O)O)(C(=O)O2)O)O

Structure (2D/3D)

Chemical Identifiers

Chemical Properties

Compound Classification

Pharmacokinetics (GIA/BBB)

Druglikeness Rules

Taxonomy