Vilmorrianone
AlkaPlorer ID: AK075293
Synonym: None
IUPAC Name: [(1R,3S,5R,8R,9S,11S,14R,17R,18S)-5,7-dimethyl-12-methylidene-10,15,16-trioxo-7-azahexacyclo[9.6.2.01,8.05,17.09,14.014,18]nonadecan-3-yl] acetate
Structure
SMILES: C=C1C[C@@]23C(=O)C(=O)[C@@H]4[C@@]5(C)C[C@H](OC(C)=O)C[C@@]46[C@@H]2C[C@@H]1C(=O)[C@@H]3[C@H]6N(C)C5
InChI: InChI=1S/C23H27NO5/c1-10-6-22-14-5-13(10)16(26)15(22)19-23(14)8-12(29-11(2)25)7-21(3,9-24(19)4)18(23)17(27)20(22)28/h12-15,18-19H,1,5-9H2,2-4H3/t12-,13-,14+,15+,18+,19+,21-,22+,23+/m0/s1
InChIKey: MCKIOPXSFPCTTR-NGELOBKFSA-N
Reference
Diterpenoid Alkaloids from<i>Aconitum vilmorrianum</i>
PubChem CID: 44566629
LOTUS: LTS0246671
SuperNatural Ⅲ: SN0221839-03
NPASS: NPC209252
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Aconitum vilmorinianum | Aconitum | Ranunculaceae | Ranunculales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
| Delphinium denudatum | Delphinium | Ranunculaceae | Ranunculales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 397.4710000000001
TPSA？: 80.75
MolLogP？: 1.5678999999999998
Number of H-Donors: 0
Number of H-Acceptors: 6
RingCount: 7
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Aspergillus niger | Aspergillus niger | MIC | 100.0 | ug.mL-1 | 10.1021/np960663n |
| Epidermophyton floccosum | Epidermophyton floccosum | MIC | 225.0 | ug.mL-1 | 10.1021/np960663n |
| Pleurotus ostreatus | Pleurotus ostreatus | MIC | 175.0 | ug.mL-1 | 10.1021/np960663n |
| Scedosporium boydii | Scedosporium boydii | MIC | 150.0 | ug.mL-1 | 10.1021/np960663n |