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SCFBio, IIT Delhi Hauz Khas, New Delhi
Structure
Compound BIMP038160

(2E,4E)-5-[3-[(2S,3R,4S,5S,6R)-6-[[(E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxymethyl]-3,4,5-trihydroxyoxan-2-yl]oxy-4-hydroxyphenyl]penta-2,4-dienoic acid

Formula: C26H26O12  |  Mol. Weight: 530.50 g/mol

IUPAC: (2E,4E)-5-[3-[(2S,3R,4S,5S,6R)-6-[[(E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxymethyl]-3,4,5-trihydroxyoxan-2-yl]oxy-4-hydroxyphenyl]penta-2,4-dienoic acid

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Overview

Molecular Formula C26H26O12
Molecular Weight 530.50 g/mol
Canonical SMILES C1=CC(=C(C=C1C=CC(=O)OCC2C(C(C(C(O2)OC3=C(C=CC(=C3)C=CC=CC(=O)O)O)O)O)O)O)O

Structure (2D/3D)

Chemical Identifiers

Chemical Properties

Compound Classification

Pharmacokinetics (GIA/BBB)

Druglikeness Rules

Taxonomy