Vilmoritine
AlkaPlorer ID: AK317644
Synonym: None
IUPAC Name: (6,16-dimethoxy-12,14-dimethyl-10-oxo-14-azapentacyclo[10.3.3.12,5.01,11.03,8]nonadec-8-en-4-yl) acetate
Structure
SMILES: COC1CC2=CC(=O)C3C4(C)CCC(OC)C3(CN(C)C4)C3CC1C(OC(C)=O)C23
InChI: InChI=1S/C24H35NO5/c1-13(26)30-21-15-10-16-20(21)14(9-18(15)28-4)8-17(27)22-23(2)7-6-19(29-5)24(16,22)12-25(3)11-23/h8,15-16,18-22H,6-7,9-12H2,1-5H3
InChIKey: RXSZDMHSNAIKQI-UHFFFAOYSA-N
Reference
Diterpenoid alkaloids from Aconitum vilmorinianum
PubChem CID: 163192375
CAS: 143086-35-5
LOTUS: LTS0062867
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Aconitum vilmorinianum | Aconitum | Ranunculaceae | Ranunculales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 417.54600000000016
TPSA？: 65.07
MolLogP？: 2.4613000000000005
Number of H-Donors: 0
Number of H-Acceptors: 6
RingCount: 5
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|