168434-13-7
AlkaPlorer ID: AK063689
Synonym: None
IUPAC Name: [(2S,3S,4aS,5S,8aR)-2-methyl-5-[(1E,3E)-7-oxoocta-1,3-dienyl]-1,2,3,4,4a,5,6,7,8,8a-decahydroquinolin-3-yl] 2-hydroxyacetate
Structure
SMILES: CC(=O)CC/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/C20H31NO4/c1-14(23)8-5-3-4-6-9-16-10-7-11-18-17(16)12-19(15(2)21-18)25-20(24)13-22/h3-4,6,9,15-19,21-22H,5,7-8,10-13H2,1-2H3/b4-3+,9-6+/t15-,16+,17-,18+,19-/m0/s1
InChIKey: JKQGWYPXLVLCMI-WBYVRQNFSA-N
Reference
PubChem CID: 10315815
LOTUS: LTS0030716
SuperNatural Ⅲ: SN0168003-01
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: 349.4710000000001
TPSA？: 75.63
MolLogP？: 2.5388
Number of H-Donors: 2
Number of H-Acceptors: 5
RingCount: 2
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|