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SCFBio, IIT Delhi Hauz Khas, New Delhi
Structure
Compound BIMP026505

Neotheaflavin 3-gallate

Formula: C36H28O16  |  Mol. Weight: 716.60 g/mol

IUPAC: [5,7-dihydroxy-2-[3,4,6-trihydroxy-5-oxo-1-(3,5,7-trihydroxy-3,4-dihydro-2H-chromen-2-yl)benzo[7]annulen-8-yl]-3,4-dihydro-2H-chromen-3-yl] 3,4,5-trihydroxybenzoate

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Overview

Molecular Formula C36H28O16
Molecular Weight 716.60 g/mol
Canonical SMILES C1C(C(OC2=CC(=CC(=C21)O)O)C3=CC(=C(C4=C3C=C(C=C(C4=O)O)C5C(CC6=C(C=C(C=C6O5)O)O)OC(=O)C7=CC(=C(C(=C7)O)O)O)O)O)O

Structure (2D/3D)

Chemical Identifiers

Chemical Properties

Compound Classification

Pharmacokinetics (GIA/BBB)

Druglikeness Rules

Taxonomy