Panicutine
AlkaPlorer ID: AK046261
Synonym: None
IUPAC Name: [(1R,3S,5R,8R,9S,11S,14R,17R,18R)-5,7-dimethyl-12-methylidene-10,16-dioxo-7-azahexacyclo[9.6.2.01,8.05,17.09,14.014,18]nonadecan-3-yl] acetate
Structure
SMILES: C=C1C[C@@]23CC(=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/C23H29NO4/c1-11-6-22-9-15(26)19-21(3)7-13(28-12(2)25)8-23(19)16(22)5-14(11)18(27)17(22)20(23)24(4)10-21/h13-14,16-17,19-20H,1,5-10H2,2-4H3/t13-,14-,16+,17+,19+,20+,21-,22+,23+/m0/s1
InChIKey: CKNLFSFBGRRFCB-OETVPYRWSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Delphinium denudatum | Delphinium | Ranunculaceae | Ranunculales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 383.4880000000001
TPSA？: 63.68000000000001
MolLogP？: 2.3889000000000005
Number of H-Donors: 0
Number of H-Acceptors: 5
RingCount: 7
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Aspergillus niger | Aspergillus niger | MIC | 125.0 | ug.mL-1 | 10.1021/np960663n |
| Epidermophyton floccosum | Epidermophyton floccosum | MIC | 200.0 | ug.mL-1 | 10.1021/np960663n |
| Nigrospora oryzae | Nigrospora oryzae | Activity | nan | None | 10.1021/np960663n |
| Pleurotus ostreatus | Pleurotus ostreatus | MIC | 125.0 | ug.mL-1 | 10.1021/np960663n |
| Scedosporium boydii | Scedosporium boydii | MIC | 75.0 | ug.mL-1 | 10.1021/np960663n |
| Stachybotrys chartarum | Stachybotrys chartarum | Activity | nan | None | 10.1021/np960663n |
| None | Molecular identity unknown | Activity | nan | None | 10.1021/np960663n |