136945-62-5

AlkaPlorer ID: AK024863

Synonym: None

IUPAC Name: [(3R,4S,6S,9aS)-4-methyl-6-[(1E,3E)-octa-1,3-dienyl]-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-3-yl] acetate

Structure

SMILES: CCCC/C=C/C=C/[C@@H]1CCC[C@H]2CC[C@@H](OC(C)=O)[C@H](C)N21

copy

InChI: InChI=1S/C20H33NO2/c1-4-5-6-7-8-9-11-18-12-10-13-19-14-15-20(23-17(3)22)16(2)21(18)19/h7-9,11,16,18-20H,4-6,10,12-15H2,1-3H3/b8-7+,11-9+/t16-,18+,19-,20+/m0/s1

copy

InChIKey: QFCXPIZNNLLXTL-ZPHSHJAVSA-N

copy

Source

Species Genus Family Order Class Phylum Kingdom Domain
Clavelina picta Clavelina Clavelinidae Aplousobranchia Ascidiacea Chordata Metazoa Eukaryota

Properties Information

Molecule Weight: 319.489

TPSA: 29.54

MolLogP: 4.626100000000004

Number of H-Donors: 0

Number of H-Acceptors: 3

RingCount: 2

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi

Metabolism Information