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Pyripyropene A

CAT: 0931-T12592-02Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0931-T12592-02Size:50 mg
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CAS Number
147444-03-9
Target
Others, Acyltransferase
Related Pathways
Metabolism, Others
Bioactivity
Pyripyropene A is a potent and selective inhibitor of sterol O-acyltransferase 2 (SOAT2) /acyl-coenzyme A:cholesterol acyltransferase 2 (ACAT2) with an IC50 of 0.07 μM.
Smiles
[H][C@@]12C[C@H](OC(C)=O)[C@@]3(C)Oc4cc(oc(=O)c4[C@H](O)[C@]3([H])[C@@]1(C)CC[C@H](OC(C)=O)[C@@]2(C)COC(C)=O)-c1cccnc1
Molecular Formula
C31H37NO10
Molecular Weight
583.63
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

Pyripyropene A

Pyripyropene A is a sesquiterpenoid that consists of (3S,4R,4aR,6S,6aS,12R,12aS,12bS)-4-(acetoxymethyl)-12-hydroxy-4,6a,12b-trimethyl-11-oxo-9-(pyridin-3-yl)-1,3,4,4a,5,6,6a,12,12a,12b-decahydro-2H,11H-benzo[f]pyrano[4,3-b]chromene-3,6-diol in which the hydrogens of the 3- and 6-hydroxy functions are substituted by acetyl groups. It has a role as a metabolite and an acyl-CoA:cholesterol acyltransferase 2 inhibitor. It is a sesquiterpenoid and an organic heterotetracyclic compound.

CAS Number147444-03-9
PubChem CID11828024
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
Molecular FormulaC31H37NO10
Molecular Weight583.6
XLogP2.5
Topological Polar Surface Area148
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count11
Rotatable Bond Count8
Heavy Atom Count42
Formal Charge0
Complexity1230
SMILES
CC(=O)OC[C@@]1([C@H](CC[C@]2([C@H]1C[C@@H]([C@@]3([C@@H]2[C@H](C4=C(O3)C=C(OC4=O)C5=CN=CC=C5)O)C)OC(=O)C)C)OC(=O)C)C
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
InChIKey
PMMQOFWSZRQWEV-RVTXXDJVSA-N
Chemical Structure
2D Structure
2D structure of Pyripyropene A
CAS: 147444-03-9
CID: 11828024
Formula: C31H37NO10
MW: 583.6
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight583.6
XLogP32.5
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count11
Rotatable Bond Count8
Exact Mass583.24174638
Monoisotopic Mass583.24174638
Topological Polar Surface Area148 Ų
Heavy Atom Count42
Formal Charge0
Complexity1230
Isotope Atom Count0
Defined Atom Stereocenter Count8
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Alternative Products

CatalogName
MBS5767410Pyripyropene A
MBS651362-01Pyripyropene A ((+)-Pyripyropene A, PPPA, FO 1289A)
GTR19255324-01Pyripyropene B
045185-01Pyripyropene A ((+) -Pyripyropene A, PPPA, FO 1289A)

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