Samandarine
AlkaPlorer ID: AK312875
Synonym: 1,4-Epoxy-3-aza-A-homoandrostan-16-ol
IUPAC Name: 2,6-dimethyl-19-oxa-17-azapentacyclo[14.2.1.02,14.03,11.06,10]nonadecan-8-ol
Structure
SMILES: CC12CCC3C(CCC4CC5NCC(O5)C43C)C1CC(O)C2
InChI: InChI=1S/C19H31NO2/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/h11-17,20-21H,3-10H2,1-2H3
InChIKey: HJCSQOSWSRPBOU-UHFFFAOYSA-N
Reference
Notizen: Über eine alkaloidartige Substanz aus der Haut von Pseudophryne corroboree
PubChem CID: 12315226
LOTUS: LTS0186087
COCONUT: CNP0161921.1
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Salamandra atra | Salamandra | Salamandridae | Caudata | Amphibia | Chordata | Metazoa | Eukaryota |
| None | Salamandra | Salamandridae | Caudata | Amphibia | Chordata | Metazoa | Eukaryota |
Properties Information
Molecule Weight: 305.46200000000005
TPSA？: 41.49
MolLogP？: 2.924300000000001
Number of H-Donors: 2
Number of H-Acceptors: 3
RingCount: 5
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|