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SCFBio, IIT Delhi Hauz Khas, New Delhi
Structure
Compound BIMP010710

[2,4-dihydroxy-3-[(E,1S,5S)-5-hydroxy-1,7-bis(4-hydroxyphenyl)hept-2-enyl]-6-methoxyphenyl]-[(2S,3S,4R,6R)-2-(4-hydroxyphenyl)-4-[(E)-2-(4-hydroxyphenyl)ethenyl]-6-[2-(4-hydroxyphenyl)ethyl]oxan-3-yl]methanone

Formula: C54H54O11  |  Mol. Weight: 879.00 g/mol

IUPAC: [2,4-dihydroxy-3-[(E,1S,5S)-5-hydroxy-1,7-bis(4-hydroxyphenyl)hept-2-enyl]-6-methoxyphenyl]-[(2S,3S,4R,6R)-2-(4-hydroxyphenyl)-4-[(E)-2-(4-hydroxyphenyl)ethenyl]-6-[2-(4-hydroxyphenyl)ethyl]oxan-3-yl]methanone

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Overview

Molecular Formula C54H54O11
Molecular Weight 879.00 g/mol
Canonical SMILES COC1=C(C(=C(C(=C1)O)C(C=CCC(CCC2=CC=C(C=C2)O)O)C3=CC=C(C=C3)O)O)C(=O)C4C(CC(OC4C5=CC=C(C=C5)O)CCC6=CC=C(C=C6)O)C=CC7=CC=C(C=C7)O

Structure (2D/3D)

Chemical Identifiers

Chemical Properties

Compound Classification

Pharmacokinetics (GIA/BBB)

Druglikeness Rules

Taxonomy