Terminaline

AlkaPlorer ID: AK016031

Synonym: '', 'Terminaline'

IUPAC Name: (3S)-17-[1-(dimethylamino)ethyl]-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthrene-3,4-diol

Structure

SMILES: CC(C1CCC2C3CCC4C(O)[C@@H](O)CCC4(C)C3CCC21C)N(C)C

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InChI: InChI=1S/C23H41NO2/c1-14(24(4)5)16-8-9-17-15-6-7-19-21(26)20(25)11-13-23(19,3)18(15)10-12-22(16,17)2/h14-21,25-26H,6-13H2,1-5H3/t14?,15?,16?,17?,18?,19?,20-,21?,22?,23?/m0/s1

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InChIKey: QTNGLMWAVBOBLJ-MEUHZDAESA-N

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Reference

PubChem CID: 5321818

NPASS: NPC163950

Properties Information

Molecule Weight: 363.5860000000002

TPSA: 43.7

MolLogP: 3.927100000000003

Number of H-Donors: 2

Number of H-Acceptors: 3

RingCount: 4

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi

Metabolism Information