BIMP Logo
SCFBio, IIT Delhi Hauz Khas, New Delhi
Structure
Compound BIMP013511

Conophyllinine

Formula: C44H52N4O11  |  Mol. Weight: 812.90 g/mol

IUPAC: dimethyl (2R,6R,11S,12S,13S,22S,23S,24S,35R,38R,39R)-13,24-diethyl-11,12,23,32-tetrahydroxy-30,31-dimethoxy-21-oxa-1,9,17,28-tetrazaundecacyclo[22.13.1.16,9.02,22.03,20.05,18.06,16.027,35.029,34.035,38.013,39]nonatriaconta-3,5(18),15,19,26,29,31,33-octaene-15,26-dicarboxylate

Overview

Molecular Formula C44H52N4O11
Molecular Weight 812.90 g/mol
Canonical SMILES CCC12CC(=C3C4(C1N(CC4)CC(C2O)O)C5=C(N3)C=C6C(=C5)C7C(O6)C(C8(CC(=C9C1(C8N7CC1)C1=CC(=C(C(=C1N9)OC)OC)O)C(=O)OC)CC)O)C(=O)OC

Structure (2D/3D)

Chemical Identifiers

Chemical Properties

Compound Classification

Pharmacokinetics (GIA/BBB)

Druglikeness Rules

Taxonomy