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SCFBio, IIT Delhi Hauz Khas, New Delhi
Structure
Compound BIMP001866

[(E)-3-[4-[(1R,2S)-1-hydroxy-1-(4-hydroxy-3-methoxyphenyl)-3-[(E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoyl]oxypropan-2-yl]oxy-3-methoxyphenyl]prop-2-enyl] (E)-3-(4-hydroxyphenyl)prop-2-enoate

Formula: C39H38O12  |  Mol. Weight: 698.70 g/mol

IUPAC: [(E)-3-[4-[(1R,2S)-1-hydroxy-1-(4-hydroxy-3-methoxyphenyl)-3-[(E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoyl]oxypropan-2-yl]oxy-3-methoxyphenyl]prop-2-enyl] (E)-3-(4-hydroxyphenyl)prop-2-enoate

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Overview

Molecular Formula C39H38O12
Molecular Weight 698.70 g/mol
Canonical SMILES COC1=C(C=CC(=C1)C=CC(=O)OCC(C(C2=CC(=C(C=C2)O)OC)O)OC3=C(C=C(C=C3)C=CCOC(=O)C=CC4=CC=C(C=C4)O)OC)O

Structure (2D/3D)

Chemical Identifiers

Chemical Properties

Compound Classification

Pharmacokinetics (GIA/BBB)

Druglikeness Rules

Taxonomy