Actaline
AlkaPlorer ID: AK194015
Synonym: '(+)-Actaline'
IUPAC Name: (1S,2S,3S,5R,8S,9S,10R,13R,17R)-11-ethyl-8-hydroxy-13-methyl-4-methylidene-11-azahexacyclo[7.7.2.12,5.01,10.03,8.013,17]nonadecan-16-one
Structure
SMILES: C=C1[C@@H]2CC[C@]3(O)[C@H]1[C@H](C2)[C@@]12C(=O)CC[C@@]4(C)CN(CC)[C@@H]1[C@@H]3C[C@H]42
InChI: InChI=1S/C22H31NO2/c1-4-23-11-20(3)7-6-17(24)22-14-9-13-5-8-21(25,18(14)12(13)2)15(19(22)23)10-16(20)22/h13-16,18-19,25H,2,4-11H2,1,3H3/t13-,14+,15+,16-,18-,19-,20+,21-,22-/m1/s1
InChIKey: MRFZNDSMJQCLFO-GPGUFVKTSA-N
Reference
11-Dehydrokobusine — A new alkaloid from Aconitum thalassicum
PubChem CID: 162904015
LOTUS: LTS0169464
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Aconitum talassicum | Aconitum | Ranunculaceae | Ranunculales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 341.495
TPSA？: 40.54
MolLogP？: 3.029200000000002
Number of H-Donors: 1
Number of H-Acceptors: 3
RingCount: 6
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|