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SCFBio, IIT Delhi Hauz Khas, New Delhi
Structure
Compound BIMP031270

3-[(2E)-3,7-dimethylocta-2,6-dienyl]-6-[(2R,3R)-6-[3-[(E)-2-[3-[(2E)-3,7-dimethylocta-2,6-dienyl]-4,5-dihydroxyphenyl]ethenyl]-5-hydroxyphenoxy]-3-hydroxy-2,3-dihydro-1-benzofuran-2-yl]benzene-1,2-diol

Formula: C48H54O8  |  Mol. Weight: 758.90 g/mol

IUPAC: 3-[(2E)-3,7-dimethylocta-2,6-dienyl]-6-[(2R,3R)-6-[3-[(E)-2-[3-[(2E)-3,7-dimethylocta-2,6-dienyl]-4,5-dihydroxyphenyl]ethenyl]-5-hydroxyphenoxy]-3-hydroxy-2,3-dihydro-1-benzofuran-2-yl]benzene-1,2-diol

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Overview

Molecular Formula C48H54O8
Molecular Weight 758.90 g/mol
Canonical SMILES CC(=CCCC(=CCC1=C(C(=C(C=C1)C2C(C3=C(O2)C=C(C=C3)OC4=CC(=CC(=C4)O)C=CC5=CC(=C(C(=C5)O)O)CC=C(C)CCC=C(C)C)O)O)O)C)C

Structure (2D/3D)

Chemical Identifiers

Chemical Properties

Compound Classification

Pharmacokinetics (GIA/BBB)

Druglikeness Rules

Taxonomy