(-)-O-Methylstepharinosine

AlkaPlorer ID: AK182378

Synonym: ''

IUPAC Name: (2S,4R,5'S)-5',10,11-trimethoxyspiro[5-azatricyclo[6.3.1.04,12]dodeca-1(12),8,10-triene-2,4'-cyclohex-2-ene]-1'-one

Structure

SMILES: COC1=CC2=C3C(=C1OC)[C@@]1(C=CC(=O)C[C@@H]1OC)C[C@H]3NCC2

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InChI: InChI=1S/C19H23NO4/c1-22-14-8-11-5-7-20-13-10-19(17(16(11)13)18(14)24-3)6-4-12(21)9-15(19)23-2/h4,6,8,13,15,20H,5,7,9-10H2,1-3H3/t13-,15+,19+/m1/s1

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InChIKey: YUAGGKXKMLLGQC-WTANOLMUSA-N

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Source

Properties Information

Molecule Weight: 329.39600000000013

TPSA: 56.790000000000006

MolLogP: 2.0761000000000003

Number of H-Donors: 1

Number of H-Acceptors: 5

RingCount: 4

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi

Metabolism Information