Pyripyropene D
AlkaPlorer ID: AK026455
Synonym: 'FO 1289D', 'Pyripyropene D'
IUPAC Name: [(1S,2S,5S,6R,7R,9S,10S,18R)-9-acetyloxy-6-(acetyloxymethyl)-18-hydroxy-2,6,10-trimethyl-16-oxo-14-pyridin-3-yl-11,15-dioxatetracyclo[8.8.0.02,7.012,17]octadeca-12(17),13-dien-5-yl] propanoate
Structure
SMILES: CCC(=O)O[C@H]1CC[C@@]2(C)[C@@H](C[C@H](OC(C)=O)[C@@]3(C)OC4=C(C(=O)OC(C5=CC=CN=C5)=C4)[C@H](O)[C@H]23)[C@]1(C)COC(C)=O
InChI: InChI=1S/C32H39NO10/c1-7-25(36)42-23-10-11-30(4)22(31(23,5)16-39-17(2)34)14-24(40-18(3)35)32(6)28(30)27(37)26-21(43-32)13-20(41-29(26)38)19-9-8-12-33-15-19/h8-9,12-13,15,22-24,27-28,37H,7,10-11,14,16H2,1-6H3/t22-,23+,24+,27+,28-,30+,31+,32-/m1/s1
InChIKey: ORMKQTVTTFTZHC-NIGCWPKYSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Aspergillus fumigatus | Aspergillus | Aspergillaceae | Eurotiales | Eurotiomycetes | Ascomycota | Fungi | Eukaryota |
Properties Information
Molecule Weight: 597.6610000000002
TPSA？: 151.46
MolLogP？: 4.145400000000004
Number of H-Donors: 1
Number of H-Acceptors: 11
RingCount: 5
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Homo sapiens | Acyl coenzyme A:cholesterol acyltransferase 1 | IC50 | 27300.0 | nM | 10.1016/j.bmcl.2013.02.088 |
| Homo sapiens | Acyl coenzyme A:cholesterol acyltransferase 2 | IC50 | 897.0 | nM | 10.1016/j.bmcl.2013.02.088 |
| None | Unchecked | Ratio IC50 | 30.4 | None | 10.1016/j.bmcl.2013.02.088 |