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SCFBio, IIT Delhi Hauz Khas, New Delhi
Structure
Compound BIMP000909

[3-(3,4-dihydroxyphenyl)-1-methoxy-1-oxopropan-2-yl] 11-[(E)-3-[3-(3,4-dihydroxyphenyl)-1-methoxy-1-oxopropan-2-yl]oxy-3-oxoprop-1-enyl]-1,4,5-trihydroxy-14-oxotetracyclo[8.3.1.02,7.08,13]tetradeca-2,4,6,11-tetraene-9-carboxylate

Formula: C38H34O16  |  Mol. Weight: 746.70 g/mol

IUPAC: [3-(3,4-dihydroxyphenyl)-1-methoxy-1-oxopropan-2-yl] 11-[(E)-3-[3-(3,4-dihydroxyphenyl)-1-methoxy-1-oxopropan-2-yl]oxy-3-oxoprop-1-enyl]-1,4,5-trihydroxy-14-oxotetracyclo[8.3.1.02,7.08,13]tetradeca-2,4,6,11-tetraene-9-carboxylate

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Overview

Molecular Formula C38H34O16
Molecular Weight 746.70 g/mol
Canonical SMILES COC(=O)C(CC1=CC(=C(C=C1)O)O)OC(=O)C=CC2=CC3C4C(C2C(=O)C3(C5=CC(=C(C=C45)O)O)O)C(=O)OC(CC6=CC(=C(C=C6)O)O)C(=O)OC

Structure (2D/3D)

Chemical Identifiers

Chemical Properties

Compound Classification

Pharmacokinetics (GIA/BBB)

Druglikeness Rules

Taxonomy