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SCFBio, IIT Delhi Hauz Khas, New Delhi
Structure
Compound BIMP007245

5-[(1S,2S)-6-[(E)-2-[(2R,3R)-3-[(2S,3S)-3-(3,5-dihydroxyphenyl)-6-hydroxy-2-(4-hydroxyphenyl)-2,3-dihydro-1-benzofuran-4-yl]-2-(4-hydroxyphenyl)-2,3-dihydro-1-benzofuran-5-yl]ethenyl]-5-hydroxy-2-(4-hydroxyphenyl)-2,3-dihydro-1H-inden-1-yl]benzene-1,3-diol

Formula: C57H44O11  |  Mol. Weight: 904.90 g/mol

IUPAC: 5-[(1S,2S)-6-[(E)-2-[(2R,3R)-3-[(2S,3S)-3-(3,5-dihydroxyphenyl)-6-hydroxy-2-(4-hydroxyphenyl)-2,3-dihydro-1-benzofuran-4-yl]-2-(4-hydroxyphenyl)-2,3-dihydro-1-benzofuran-5-yl]ethenyl]-5-hydroxy-2-(4-hydroxyphenyl)-2,3-dihydro-1H-inden-1-yl]benzene-1,3-diol

Overview

Molecular Formula C57H44O11
Molecular Weight 904.90 g/mol
Canonical SMILES C1C(C(C2=CC(=C(C=C21)O)C=CC3=CC4=C(C=C3)OC(C4C5=C6C(C(OC6=CC(=C5)O)C7=CC=C(C=C7)O)C8=CC(=CC(=C8)O)O)C9=CC=C(C=C9)O)C1=CC(=CC(=C1)O)O)C1=CC=C(C=C1)O

Structure (2D/3D)

Chemical Identifiers

Chemical Properties

Compound Classification

Pharmacokinetics (GIA/BBB)

Druglikeness Rules

Taxonomy