132621-83-1
AlkaPlorer ID: AK042226
Synonym: None
IUPAC Name: [(3R,4S,6S,9aS)-6-[(1E,3E)-deca-1,3-dienyl]-4-methyl-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-3-yl] acetate
Structure
SMILES: CCCCCC/C=C/C=C/[C@@H]1CCC[C@H]2CC[C@@H](OC(C)=O)[C@H](C)N21
InChI: InChI=1S/C22H37NO2/c1-4-5-6-7-8-9-10-11-13-20-14-12-15-21-16-17-22(25-19(3)24)18(2)23(20)21/h9-11,13,18,20-22H,4-8,12,14-17H2,1-3H3/b10-9+,13-11+/t18-,20+,21-,22+/m0/s1
InChIKey: NISMLZNZORHXMO-FMOGBJGNSA-N
Reference
Clavepictines A and B: cytotoxic quinolizidines from the tunicate Clavelina picta
PubChem CID: 10383079
LOTUS: LTS0064184
SuperNatural Ⅲ: SN0246708-01
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Clavelina picta | Clavelina | Clavelinidae | Aplousobranchia | Ascidiacea | Chordata | Metazoa | Eukaryota |
Properties Information
Molecule Weight: 347.54300000000006
TPSA？: 29.54
MolLogP？: 5.406300000000005
Number of H-Donors: 0
Number of H-Acceptors: 3
RingCount: 2
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|