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Pyripyropene-A

AlkaPlorer ID: AK027174

Synonym: '(+)-Pyripyropene A', 'Pyripyropene A', 'FO 1289A'

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 acetate

Structure

SMILES: CC(=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

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InChI: InChI=1S/C31H37NO10/c1-16(33)38-15-30(5)22-13-24(40-18(3)35)31(6)27(29(22,4)10-9-23(30)39-17(2)34)26(36)25-21(42-31)12-20(41-28(25)37)19-8-7-11-32-14-19/h7-8,11-12,14,22-24,26-27,36H,9-10,13,15H2,1-6H3/t22-,23+,24+,26+,27-,29+,30+,31-/m1/s1

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InChIKey: PMMQOFWSZRQWEV-RVTXXDJVSA-N

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Source

Species Genus Family Order Class Phylum Kingdom Domain
Aspergillus fumigatus Aspergillus Aspergillaceae Eurotiales Eurotiomycetes Ascomycota Fungi Eukaryota

Properties Information

Molecule Weight: 583.6340000000004

TPSA？: 151.46

MolLogP？: 3.7553000000000014

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 80000.0 nM 10.1021/acs.jmedchem.2c01265
Homo sapiens Acyl coenzyme A:cholesterol acyltransferase 2 IC50 70.0 nM 10.1021/acs.jmedchem.2c01265
Homo sapiens Acyl coenzyme A:cholesterol acyltransferase 2 IC50 179.0 nM None
Mus musculus Acyl coenzyme A:cholesterol acyltransferase 2 IC50 1.0 nM None
Mus musculus Acyl coenzyme A:cholesterol acyltransferase 2 Ratio IC50 0.01 None None
None ADMET T1/2 1.0 hr None
None Unchecked Ratio IC50 200.0 None None
None Unchecked Selectivity Index 1000.0 None 10.1021/acs.jmedchem.2c01265

Metabolism Information