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SCFBio, IIT Delhi Hauz Khas, New Delhi
Structure
Compound BIMP001408

(2R)-3-(3,4-dihydroxyphenyl)-2-[(E)-3-[4-[(Z)-1-(3,4-dihydroxyphenyl)-3-methoxy-3-oxoprop-1-en-2-yl]oxy-3-hydroxyphenyl]prop-2-enoyl]oxypropanoic acid

Formula: C28H24O12  |  Mol. Weight: 552.50 g/mol

IUPAC: (2R)-3-(3,4-dihydroxyphenyl)-2-[(E)-3-[4-[(Z)-1-(3,4-dihydroxyphenyl)-3-methoxy-3-oxoprop-1-en-2-yl]oxy-3-hydroxyphenyl]prop-2-enoyl]oxypropanoic acid

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Overview

Molecular Formula C28H24O12
Molecular Weight 552.50 g/mol
Canonical SMILES COC(=O)C(=CC1=CC(=C(C=C1)O)O)OC2=C(C=C(C=C2)C=CC(=O)OC(CC3=CC(=C(C=C3)O)O)C(=O)O)O

Structure (2D/3D)

Chemical Identifiers

Chemical Properties

Compound Classification

Pharmacokinetics (GIA/BBB)

Druglikeness Rules

Taxonomy