(1S,2R,4S,5R,7R,8R,10S,11R,14R,17S,18R)-12-ethyl-14-methyl-6-methylidene-12-azahexacyclo[8.7.1.1⁵,⁸.0¹,¹¹.0²,⁸.0¹⁴,¹⁸]nonadecane-4,7,17-triol
AlkaPlorer ID: AK418057
Synonym: None
IUPAC Name: 12-ethyl-14-methyl-6-methylidene-12-azahexacyclo[8.7.1.15,8.01,11.02,8.014,18]nonadecane-4,7,17-triol
Structure
SMILES: C=C1C2CC3(CC4C5N(CC)CC6(C)CCC(O)C5(C46)C3CC2O)C1O
InChI: InChI=1S/C22H33NO3/c1-4-23-10-20(3)6-5-16(25)22-15-7-14(24)12-8-21(15,19(26)11(12)2)9-13(17(20)22)18(22)23/h12-19,24-26H,2,4-10H2,1,3H3
InChIKey: IZUTYRYPLISYDD-UHFFFAOYSA-N
Reference
Alkaloids of the epigeal part ofAconitum karakolicum
PubChem CID: 163017575
LOTUS: LTS0130778
COCONUT: CNP0293504.1
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Aconitum karakolicum | Aconitum | Ranunculaceae | Ranunculales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 359.51000000000005
TPSA？: 63.93000000000001
MolLogP？: 1.7917999999999998
Number of H-Donors: 3
Number of H-Acceptors: 4
RingCount: 7
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|