Samandarine; 16-Ketone
AlkaPlorer ID: AK312877
Synonym: Samandarone
IUPAC Name: 2,6-dimethyl-19-oxa-17-azapentacyclo[14.2.1.02,14.03,11.06,10]nonadecan-8-one
Structure
SMILES: CC12CCC3C(CCC4CC5NCC(O5)C43C)C1CC(=O)C2
InChI: InChI=1S/C19H29NO2/c1-18-6-5-14-13(15(18)8-12(21)9-18)4-3-11-7-17-20-10-16(22-17)19(11,14)2/h11,13-17,20H,3-10H2,1-2H3
InChIKey: XWTQFFNBWQHSFL-UHFFFAOYSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Leptodactylus pentadactylus | Leptodactylus | Leptodactylidae | Anura | Amphibia | Chordata | Metazoa | Eukaryota |
Properties Information
Molecule Weight: 303.4460000000001
TPSA？: 38.33
MolLogP？: 3.132500000000002
Number of H-Donors: 1
Number of H-Acceptors: 3
RingCount: 5
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|