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SCFBio, IIT Delhi Hauz Khas, New Delhi
Structure
Compound BIMP001463

(1S,3S,4R,5S)-3-[(E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy-1,5-dihydroxy-4-[(E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoyl]oxycyclohexane-1-carboxylic acid

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

IUPAC: (1S,3S,4R,5S)-3-[(E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy-1,5-dihydroxy-4-[(E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoyl]oxycyclohexane-1-carboxylic acid

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Overview

Molecular Formula C26H26O12
Molecular Weight 530.50 g/mol
Canonical SMILES COC1=C(C=CC(=C1)C=CC(=O)OC2C(CC(CC2OC(=O)C=CC3=CC(=C(C=C3)O)O)(C(=O)O)O)O)O

Structure (2D/3D)

Chemical Identifiers

Chemical Properties

Compound Classification

Pharmacokinetics (GIA/BBB)

Druglikeness Rules

Taxonomy