15-hydroxyrankinidine

AlkaPlorer ID: AK145377

Synonym: None

IUPAC Name: (1R,2S,4S,7E,8S,9S)-7-ethylidene-8-hydroxy-1'-methoxyspiro[11-oxa-5-azatricyclo[6.3.1.04,9]dodecane-2,3'-indole]-2'-one

Structure

SMILES: C/C=C1\CN[C@H]2C[C@@]3(C(=O)N(OC)C4=CC=CC=C43)[C@H]3C[C@]1(O)[C@@H]2CO3

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InChI: InChI=1S/C20H24N2O4/c1-3-12-10-21-15-8-19(17-9-20(12,24)14(15)11-26-17)13-6-4-5-7-16(13)22(25-2)18(19)23/h3-7,14-15,17,21,24H,8-11H2,1-2H3/b12-3+/t14-,15+,17-,19+,20-/m1/s1

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InChIKey: QSHFTQQWAVWZHK-LQRXEXGVSA-N

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Source

Properties Information

Molecule Weight: 356.42200000000014

TPSA: 71.03000000000002

MolLogP: 1.2904

Number of H-Donors: 2

Number of H-Acceptors: 5

RingCount: 6

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi

Metabolism Information