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SCFBio, IIT Delhi Hauz Khas, New Delhi
Structure
Compound BIMP011020

9,9'-Di-O-(E)-feruloylsecoisolariciresinol

Formula: C40H42O12  |  Mol. Weight: 714.80 g/mol

IUPAC: [(2R,3R)-2,3-bis[(4-hydroxy-3-methoxyphenyl)methyl]-4-[(E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoyl]oxybutyl] (E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate

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Overview

Molecular Formula C40H42O12
Molecular Weight 714.80 g/mol
Canonical SMILES COC1=C(C=CC(=C1)CC(COC(=O)C=CC2=CC(=C(C=C2)O)OC)C(CC3=CC(=C(C=C3)O)OC)COC(=O)C=CC4=CC(=C(C=C4)O)OC)O

Structure (2D/3D)

Chemical Identifiers

Chemical Properties

Compound Classification

Pharmacokinetics (GIA/BBB)

Druglikeness Rules

Taxonomy