Molecule

10-Methoxyaffinisine

AlkaPlorer ID: AK000255

Synonym: None

IUPAC Name: [(1S,12S,13R,14S,15Z)-15-ethylidene-7-methoxy-3-methyl-3,17-diazapentacyclo[12.3.1.02,10.04,9.012,17]octadeca-2(10),4(9),5,7-tetraen-13-yl]methanol

Structure

SMILES: C/C=C/1\CN2[C@H]3C[C@H]1[C@H]([C@@H]2CC4=C3N(C5=C4C=C(C=C5)OC)C)CO

InChI: InChI=1S/C21H26N2O2/c1-4-12-10-23-19-9-16-15-7-13(25-3)5-6-18(15)22(2)21(16)20(23)8-14(12)17(19)11-24/h4-7,14,17,19-20,24H,8-11H2,1-3H3/b12-4+/t14-,17-,19+,20+/m1/s1

InChIKey: QWVWSERSLAJTNG-ZIOVFWFMSA-N

Reference

Macroline, talpinine, and sarpagine alkaloids from Alstonia penangiana. An NMR-based method for differentiating between A. penangiana and A. macrophylla

PubChem CID: 12067338

Source

Species	Genus	Family	Order	Class	Phylum	Kingdom	Domain

Properties Information

Molecule Weight: 338.4510000000001

TPSA？: 37.629999999999995

MolLogP？: 3.0430000000000015

Number of H-Donors: 1

Number of H-Acceptors: 4

RingCount: 6

Activities Information

Organism	Target Name	Standard Type	Standard Value	Standard Units	doi