Orgetine
AlkaPlorer ID: AK101898
Synonym: ''
IUPAC Name: (1S,5R,8S,9S,11R,13R,14S,16S,17R,18R,19S)-5-methyl-12-methylidene-7-azaheptacyclo[9.6.2.01,8.05,17.07,16.09,14.014,18]nonadecane-8,13,19-triol
Structure
SMILES: C=C1[C@H]2C[C@H]3[C@@]4(C[C@H]5[C@@H]6[C@@]7(C)CCC[C@]6([C@@H]4[C@H]2O)[C@]3(O)N5C7)[C@@H]1O
InChI: InChI=1S/C20H27NO3/c1-9-10-6-12-18(16(9)23)7-11-14-17(2)4-3-5-19(14,15(18)13(10)22)20(12,24)21(11)8-17/h10-16,22-24H,1,3-8H2,2H3/t10-,11+,12+,13+,14-,15-,16-,17+,18-,19+,20+/m1/s1
InChIKey: FNTVGWXTYMQJSO-LLBLNAJSSA-N
Reference
Alkaloids of the epigeal part of Aconitum orientale structure of orgetine
PubChem CID: 163027023
LOTUS: LTS0149238
NPASS: NPC191540
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Aspergillus ochraceus | Aspergillus | Aspergillaceae | Eurotiales | Eurotiomycetes | Ascomycota | Fungi | Eukaryota |
| Mundulea chapelieri | Mundulea | Fabaceae | Fabales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 329.44
TPSA？: 63.93000000000001
MolLogP？: 1.1132
Number of H-Donors: 3
Number of H-Acceptors: 4
RingCount: 9
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|