149155-21-5
AlkaPlorer ID: AK053601
Synonym: None
IUPAC Name: 1-[(3aR,4R,5R,7aS)-5-[(E)-5-pyridin-2-ylpent-4-enyl]-2,3,3a,4,5,7a-hexahydro-1H-inden-4-yl]ethanone
Structure
SMILES: CC(=O)[C@H]1[C@@H]2CCC[C@H]2C=C[C@H]1CCC/C=C/C1=CC=CC=N1
InChI: InChI=1S/C21H27NO/c1-16(23)21-18(14-13-17-9-7-12-20(17)21)8-3-2-4-10-19-11-5-6-15-22-19/h4-6,10-11,13-15,17-18,20-21H,2-3,7-9,12H2,1H3/b10-4+/t17-,18+,20+,21+/m0/s1
InChIKey: NOQCDTWBLXKMJU-RMKJFREFSA-N
Reference
Predator - prey relationship between Navanax inermis and Bulla gouldiana : a Chemical Approach
PubChem CID: 10403093
LOTUS: LTS0235308
SuperNatural Ⅲ: SN0251187-02
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Bulla gouldiana | Bulla | Bullidae | Cephalaspidea | Gastropoda | Mollusca | Metazoa | Eukaryota |
Properties Information
Molecule Weight: 309.453
TPSA？: 29.96
MolLogP？: 5.072600000000005
Number of H-Donors: 0
Number of H-Acceptors: 2
RingCount: 3
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|