(4S,4aS,7S,7aS)-7-[(benzoyloxy)methyl]-2,2,4-trimethyl-octahydrocyclopenta[c]pyridin-2-ium
AlkaPlorer ID: AK558817
Synonym: None
IUPAC Name: [(4S,4aS,7S,7aR)-2,2,4-trimethyl-1,3,4,4a,5,6,7,7a-octahydrocyclopenta[c]pyridin-2-ium-7-yl]methyl benzoate
Structure
SMILES: C[C@@H]1C[N+](C)(C)C[C@H]2[C@@H](COC(=O)C3=CC=CC=C3)CC[C@H]21
InChI: InChI=1S/C19H28NO2/c1-14-11-20(2,3)12-18-16(9-10-17(14)18)13-22-19(21)15-7-5-4-6-8-15/h4-8,14,16-18H,9-13H2,1-3H3/q+1/t14-,16-,17+,18+/m1/s1
InChIKey: WIZMGHKBJJVAEH-BGTYHANMSA-N
Reference
Antinociceptive substances from Incarvillea delavayi
PubChem CID: 163189330
LOTUS: LTS0190134
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Incarvillea delavayi | Incarvillea | Bignoniaceae | Lamiales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 302.43800000000005
TPSA？: 26.3
MolLogP？: 3.2119000000000018
Number of H-Donors: 0
Number of H-Acceptors: 2
RingCount: 3
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|