UNPD129535

AlkaPlorer ID: AK063434

Synonym: None

IUPAC Name: 2-[(1S,9S,10S,11R,17S)-10-(hydroxymethyl)-8,14-diazapentacyclo[9.5.2.01,9.02,7.014,17]octadeca-2,4,6-trien-12-ylidene]ethanol

Structure

SMILES: OCC=C1CN2CC[C@]34C5=CC=CC=C5N[C@H]3[C@@H](CO)[C@H]1C[C@H]24

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InChI: InChI=1S/C19H24N2O2/c22-8-5-12-10-21-7-6-19-15-3-1-2-4-16(15)20-18(19)14(11-23)13(12)9-17(19)21/h1-5,13-14,17-18,20,22-23H,6-11H2/t13-,14-,17-,18-,19+/m0/s1

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InChIKey: TWZXGHUORNLMGZ-BHHKEHIISA-N

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Source

Properties Information

Molecule Weight: 312.41300000000007

TPSA: 55.73

MolLogP: 1.3535

Number of H-Donors: 3

Number of H-Acceptors: 4

RingCount: 5

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi

Metabolism Information