8-acetoxyheterophyllisine
AlkaPlorer ID: AK083613
Synonym: '8-O-Acetylheterophyllisine', '8-Acetylheterophyllisine'
IUPAC Name: [(1S,2R,3S,6S,9S,10S,11R,14R,17S,18R)-12-ethyl-17-methoxy-14-methyl-4-oxo-5-oxa-12-azahexacyclo[8.7.2.12,6.01,11.03,9.014,18]icosan-9-yl] acetate
Structure
SMILES: CCN1C[C@]2(C)CC[C@H](OC)[C@@]34[C@@H]5C[C@@H]6CC[C@](OC(C)=O)([C@@H](C[C@H]23)[C@@H]14)[C@H]5C(=O)O6
InChI: InChI=1S/C24H35NO5/c1-5-25-12-22(3)8-7-18(28-4)24-15-10-14-6-9-23(30-13(2)26,19(15)21(27)29-14)16(20(24)25)11-17(22)24/h14-20H,5-12H2,1-4H3/t14-,15+,16-,17+,18-,19+,20+,22-,23-,24+/m0/s1
InChIKey: IYIKMJOMHPPBMO-VVUWITMBSA-N
Reference
Antifungal Diterpenoid Alkaloids from <i>Delphinium denudatum</i>
PubChem CID: 44566628
LOTUS: LTS0117940
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Delphinium denudatum | Delphinium | Ranunculaceae | Ranunculales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 417.54600000000016
TPSA？: 65.07000000000001
MolLogP？: 2.785300000000001
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 | 200.0 | ug.mL-1 | 10.1021/np960663n |
| Epidermophyton floccosum | Epidermophyton floccosum | MIC | 250.0 | ug.mL-1 | 10.1021/np960663n |
| Pleurotus ostreatus | Pleurotus ostreatus | MIC | 150.0 | ug.mL-1 | 10.1021/np960663n |
| Scedosporium boydii | Scedosporium boydii | MIC | 100.0 | ug.mL-1 | 10.1021/np960663n |