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SCFBio, IIT Delhi Hauz Khas, New Delhi
Structure
Compound BIMP024353

Gomphrenin II

Formula: C33H32N2O15  |  Mol. Weight: 696.60 g/mol

IUPAC: 1-[(2E)-2-(2,6-dicarboxy-2,3-dihydro-1H-pyridin-4-ylidene)ethylidene]-5-hydroxy-6-[3,4,5-trihydroxy-6-[[(E)-3-(4-hydroxyphenyl)prop-2-enoyl]oxymethyl]oxan-2-yl]oxy-2,3-dihydroindol-1-ium-2-carboxylate

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Overview

Molecular Formula C33H32N2O15
Molecular Weight 696.60 g/mol
Canonical SMILES C1C(NC(=CC1=CC=[N+]2C(CC3=CC(=C(C=C32)OC4C(C(C(C(O4)COC(=O)C=CC5=CC=C(C=C5)O)O)O)O)O)C(=O)[O-])C(=O)O)C(=O)O

Structure (2D/3D)

Chemical Identifiers

Chemical Properties

Compound Classification

Pharmacokinetics (GIA/BBB)

Druglikeness Rules

Taxonomy