Beauveriolide III
AlkaPlorer ID: AK023452
Synonym: None
IUPAC Name: (3R,6S,9S,13S)-9-benzyl-3-[(2R)-butan-2-yl]-13-[(2S)-hexan-2-yl]-6-methyl-1-oxa-4,7,10-triazacyclotridecane-2,5,8,11-tetrone
Structure
SMILES: CCCC[C@H](C)[C@@H]1CC(O)=N[C@@H](CC2=CC=CC=C2)C(O)=N[C@@H](C)C(O)=N[C@H]([C@H](C)CC)C(=O)O1
InChI: InChI=1S/C27H41N3O5/c1-6-8-12-18(4)22-16-23(31)29-21(15-20-13-10-9-11-14-20)26(33)28-19(5)25(32)30-24(17(3)7-2)27(34)35-22/h9-11,13-14,17-19,21-22,24H,6-8,12,15-16H2,1-5H3,(H,28,33)(H,29,31)(H,30,32)/t17-,18+,19+,21+,22+,24-/m1/s1
InChIKey: VEELKRGSLCNVAR-GXBUOAPDSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Beauveria sp. | Beauveria | Cordycipitaceae | Hypocreales | Sordariomycetes | Ascomycota | Fungi | Eukaryota |
Properties Information
Molecule Weight: 487.64100000000025
TPSA？: 124.07
MolLogP？: 5.412200000000005
Number of H-Donors: 3
Number of H-Acceptors: 5
RingCount: 2
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Mus musculus | Acyl coenzyme A:cholesterol acyltransferase 1 | Inhibition | 80.0 | % | 10.1016/j.bmcl.2008.06.054 |
| None | Macrophage | IC50 | 1700.0 | nM | 10.1016/j.bmcl.2008.06.054 |