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SCFBio, IIT Delhi Hauz Khas, New Delhi
Structure
Compound BIMP007995

11-[(E)-2-[(1S,5R)-5-[2-(2,4-dihydroxyphenyl)-5,7-dihydroxy-3-(3-methylbut-2-enyl)-4-oxochromen-8-yl]-1,3-dimethylcyclohex-3-en-1-yl]ethenyl]-1,3,8,10-tetrahydroxy-5-propan-2-ylidene-6H-benzo[c]xanthen-7-one

Formula: C50H46O12  |  Mol. Weight: 838.90 g/mol

IUPAC: 11-[(E)-2-[(1S,5R)-5-[2-(2,4-dihydroxyphenyl)-5,7-dihydroxy-3-(3-methylbut-2-enyl)-4-oxochromen-8-yl]-1,3-dimethylcyclohex-3-en-1-yl]ethenyl]-1,3,8,10-tetrahydroxy-5-propan-2-ylidene-6H-benzo[c]xanthen-7-one

Overview

Molecular Formula C50H46O12
Molecular Weight 838.90 g/mol
Canonical SMILES CC1=CC(CC(C1)(C)C=CC2=C3C(=C(C=C2O)O)C(=O)C4=C(O3)C5=C(C=C(C=C5O)O)C(=C(C)C)C4)C6=C(C=C(C7=C6OC(=C(C7=O)CC=C(C)C)C8=C(C=C(C=C8)O)O)O)O

Structure (2D/3D)

Chemical Identifiers

Chemical Properties

Compound Classification

Pharmacokinetics (GIA/BBB)

Druglikeness Rules

Taxonomy