Fruticosonine

AlkaPlorer ID: AK044029

Synonym: '', 'Fruticosonine'

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

Structure

SMILES: C[C@@H]1CC[C@@H](C(C)(C)NCCC2=CNC3=CC=CC=C23)CC1=O

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InChI: InChI=1S/C20H28N2O/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/h4-7,13-14,16,21-22H,8-12H2,1-3H3/t14-,16-/m1/s1

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InChIKey: YKGQTGZOJCRHNO-GDBMZVCRSA-N

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Reference

Isopeduncularine

PubChem CID: 442091

CAS: 73326-88-2

LOTUS: LTS0008377

Source

Properties Information

Molecule Weight: 312.4570000000001

TPSA: 44.89

MolLogP: 4.0839000000000025

Number of H-Donors: 2

Number of H-Acceptors: 2

RingCount: 3

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi

Metabolism Information