Hobartine; (-)-form, 17-Hydroxy

AlkaPlorer ID: AK228862

Synonym: 17-Hydroxyhobartine

IUPAC Name: [4-(1H-indol-3-ylmethyl)-2,2-dimethyl-3-azabicyclo[3.3.1]non-6-en-6-yl]methanol

Structure

SMILES: CC1(C)NC(CC2=CNC3=CC=CC=C23)C2CC1CC=C2CO

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InChI: InChI=1S/C20H26N2O/c1-20(2)15-8-7-13(12-23)17(10-15)19(22-20)9-14-11-21-18-6-4-3-5-16(14)18/h3-7,11,15,17,19,21-23H,8-10,12H2,1-2H3

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InChIKey: NRSXTYHHUFXQIS-UHFFFAOYSA-N

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Reference

PubChem CID: 14636493

COCONUT: CNP0288503

Source

Properties Information

Molecule Weight: 310.44100000000003

TPSA: 48.05

MolLogP: 3.4057000000000026

Number of H-Donors: 3

Number of H-Acceptors: 2

RingCount: 4

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi

Metabolism Information