11-Dehydrokobusine
AlkaPlorer ID: AK143603
Synonym: ''
IUPAC Name: (1S,5S,8R,9S,11R,13R,14R,16S,17R,18S)-13-hydroxy-5-methyl-12-methylidene-7-azaheptacyclo[9.6.2.01,8.05,17.07,16.09,14.014,18]nonadecan-19-one
Structure
SMILES: C=C1[C@H]2C[C@@H]3[C@H]4N5C[C@@]6(C)CCC[C@]47[C@H](C2=O)[C@]3(C[C@H]5[C@H]67)[C@@H]1O
InChI: InChI=1S/C20H25NO2/c1-9-10-6-11-16-19-5-3-4-18(2)8-21(16)12(14(18)19)7-20(11,17(9)23)15(19)13(10)22/h10-12,14-17,23H,1,3-8H2,2H3/t10-,11-,12+,14-,15+,16-,17-,18-,19+,20-/m1/s1
InChIKey: AEVJPWPOSAXXKK-WCIOBWGISA-N
Reference
11-Dehydrokobusine — A new alkaloid from Aconitum thalassicum
PubChem CID: 101526427
LOTUS: LTS0026990
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Aconitum talassicum | Aconitum | Ranunculaceae | Ranunculales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 311.42499999999995
TPSA？: 40.540000000000006
MolLogP？: 2.0014
Number of H-Donors: 1
Number of H-Acceptors: 3
RingCount: 9
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|