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SCFBio, IIT Delhi Hauz Khas, New Delhi
Structure
Compound BIMP037699

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

Formula: C56H42O12  |  Mol. Weight: 906.90 g/mol

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

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Overview

Molecular Formula C56H42O12
Molecular Weight 906.90 g/mol
Canonical SMILES C1=CC(=CC=C1C2C(C3=C(O2)C=CC(=C3)C=CC4=C5C(C(OC5=CC(=C4)O)C6=CC=C(C=C6)O)C7=CC(=CC(=C7)O)O)C8=CC(=C9C(C(OC9=C8)C1=CC=C(C=C1)O)C1=CC(=CC(=C1)O)O)O)O

Structure (2D/3D)

Chemical Identifiers

Chemical Properties

Compound Classification

Pharmacokinetics (GIA/BBB)

Druglikeness Rules

Taxonomy