Samandarine; O-Ac
AlkaPlorer ID: AK312876
Synonym: O-Acetylsamandarine
IUPAC Name: (2,6-dimethyl-19-oxa-17-azapentacyclo[14.2.1.02,14.03,11.06,10]nonadecan-8-yl) acetate
Structure
SMILES: CC(=O)OC1CC2C3CCC4CC5NCC(O5)C4(C)C3CCC2(C)C1
InChI: InChI=1S/C21H33NO3/c1-12(23)24-14-9-17-15-5-4-13-8-19-22-11-18(25-19)21(13,3)16(15)6-7-20(17,2)10-14/h13-19,22H,4-11H2,1-3H3
InChIKey: LCDBBFJXTGHUHX-UHFFFAOYSA-N
Reference
<i>O</i>‐Acetyl‐samandarin im Gift von Salamandra Maculosa
PubChem CID: 162849084
LOTUS: LTS0154553
COCONUT: CNP0110918.1
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| None | Salamandra | Salamandridae | Caudata | Amphibia | Chordata | Metazoa | Eukaryota |
Properties Information
Molecule Weight: 347.4990000000002
TPSA？: 47.56
MolLogP？: 3.4951000000000025
Number of H-Donors: 1
Number of H-Acceptors: 4
RingCount: 5
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|