Actaline
AlkaPlorer ID: AK194014
Synonym: '(+)-Actaline'
IUPAC Name: (1S,2R,3R,5S,8R,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]4C[C@@H]5[C@@]6(C)CCC(=O)[C@]5([C@H](C2)[C@H]13)[C@@H]4N(CC)C6
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+/m0/s1
InChIKey: MRFZNDSMJQCLFO-ABTBIQLHSA-N
Reference
Alkaloids of the epigeal part of Aconitum talassicum. Structure of actaline
PubChem CID: 162904014
LOTUS: LTS0242882
SuperNatural Ⅲ: SN0233261-02
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Aconitum talassicum | Aconitum | Ranunculaceae | Ranunculales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 341.4950000000001
TPSA？: 40.54
MolLogP？: 3.029200000000001
Number of H-Donors: 1
Number of H-Acceptors: 3
RingCount: 6
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|