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SCFBio, IIT Delhi Hauz Khas, New Delhi
Structure
Compound BIMP024355

Flavone base + 3O, 1MeO, O-HexA-FeruloylHexA

Formula: C38H36O21  |  Mol. Weight: 828.70 g/mol

IUPAC: 5-[6-carboxy-4,5-dihydroxy-3-[(E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoyl]oxyoxan-2-yl]oxy-3,4-dihydroxy-6-[5-hydroxy-2-(4-hydroxy-3-methoxyphenyl)-4-oxochromen-7-yl]oxyoxane-2-carboxylic acid

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Overview

Molecular Formula C38H36O21
Molecular Weight 828.70 g/mol
Canonical SMILES COC1=C(C=CC(=C1)C=CC(=O)OC2C(C(C(OC2OC3C(C(C(OC3OC4=CC(=C5C(=C4)OC(=CC5=O)C6=CC(=C(C=C6)O)OC)O)C(=O)O)O)O)C(=O)O)O)O)O

Structure (2D/3D)

Chemical Identifiers

Chemical Properties

Compound Classification

Pharmacokinetics (GIA/BBB)

Druglikeness Rules

Taxonomy