Fruticosonine; 3'ξ-Alcohol

AlkaPlorer ID: AK259667

Synonym: Fruticosoline

IUPAC Name: 5-[2-[2-(1H-indol-3-yl)ethylamino]propan-2-yl]-2-methylcyclohexan-1-ol

Structure

SMILES: CC1CCC(C(C)(C)NCCC2=CNC3=CC=CC=C23)CC1O

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InChI: InChI=1S/C20H30N2O/c1-14-8-9-16(12-19(14)23)20(2,3)22-11-10-15-13-21-18-7-5-4-6-17(15)18/h4-7,13-14,16,19,21-23H,8-12H2,1-3H3

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InChIKey: PPJTXHCQNYLUAC-UHFFFAOYSA-N

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Reference

PubChem CID: 14587731

COCONUT: CNP0114703

Source

Properties Information

Molecule Weight: 314.47300000000007

TPSA: 48.05

MolLogP: 3.8757000000000015

Number of H-Donors: 3

Number of H-Acceptors: 2

RingCount: 3

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi

Metabolism Information