141544-70-9
AlkaPlorer ID: AK045307
Synonym: '(-)-Lepadin A', 'Lepadin A'
IUPAC Name: [(2S,3S,4aS,5S,8aR)-2-methyl-5-[(1E,3E)-octa-1,3-dienyl]-1,2,3,4,4a,5,6,7,8,8a-decahydroquinolin-3-yl] 2-hydroxyacetate
Structure
SMILES: CCCC/C=C/C=C/[C@@H]1CCC[C@H]2N[C@@H](C)[C@@H](OC(=O)CO)C[C@@H]12
InChI: InChI=1S/C20H33NO3/c1-3-4-5-6-7-8-10-16-11-9-12-18-17(16)13-19(15(2)21-18)24-20(23)14-22/h6-8,10,15-19,21-22H,3-5,9,11-14H2,1-2H3/b7-6+,10-8+/t15-,16+,17-,18+,19-/m0/s1
InChIKey: LKGPEPDNXJHRDO-FASSZOPTSA-N
Reference
PubChem CID: 10088335
LOTUS: LTS0200570
SuperNatural Ⅲ: SN0207809-04
data_source: manually
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Clavelina lepadiformis | Clavelina | Clavelinidae | Aplousobranchia | Ascidiacea | Chordata | Metazoa | Eukaryota |
Properties Information
Molecule Weight: 335.48800000000006
TPSA？: 58.56
MolLogP？: 3.3598000000000017
Number of H-Donors: 2
Number of H-Acceptors: 4
RingCount: 2
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|