Pyripyropene B
AlkaPlorer ID: AK091593
Synonym: 'FO 1289B', 'Pyripyropene B'
IUPAC Name: [(1S,2S,5S,6R,7R,9S,10S,18R)-5,9-diacetyloxy-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-6-yl]methyl propanoate
Structure
SMILES: CCC(=O)OC[C@@]1(C)[C@@H]2C[C@H](OC(C)=O)[C@@]3(C)OC4=C(C(=O)OC(C5=CC=CN=C5)=C4)[C@H](O)[C@@H]3[C@@]2(C)CC[C@@H]1OC(C)=O
InChI: InChI=1S/C32H39NO10/c1-7-25(36)39-16-31(5)22-14-24(41-18(3)35)32(6)28(30(22,4)11-10-23(31)40-17(2)34)27(37)26-21(43-32)13-20(42-29(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: HQJYCJFUVSNJFK-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 | 52000.0 | nM | 10.1016/j.bmcl.2013.02.088 |
| Homo sapiens | Acyl coenzyme A:cholesterol acyltransferase 2 | IC50 | 772.0 | nM | 10.1016/j.bmcl.2013.02.088 |
| None | Unchecked | Ratio IC50 | 67.4 | None | 10.1016/j.bmcl.2013.02.088 |