Drug General Information
Drug ID
D0A2NK
Former ID
DNC004870
Drug Name
PYRIPYROPENE A
Drug Type
Small molecular drug
Indication Discovery agent Investigative [527340]
Structure
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2D MOL

3D MOL

Formula
C31H35NO10
Canonical SMILES
CC(=O)OCC1(C(CCC2(C1C=C(C3(C2C(=C4C(=CC(OC4=O)C5=CN=CC=<br />C5)O3)O)C)OC(=O)C)C)OC(=O)C)C
InChI
1S/C31H35NO10/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/h7-8,11-14,20,22-23,27,36H,9-10,15H2,1-6H3
InChIKey
APXYGOOSELMEEZ-UHFFFAOYSA-N
PubChem Compound ID
Target and Pathway
Target(s) Liver carboxylesterase Target Info Inhibitor [527138]
mRNA of human acyl CoA cholesterol acyl-transferase-2 Target Info Inhibitor [527340]
KEGG Pathway Drug metabolism - other enzymes
Metabolic pathwayshsa00100:Steroid biosynthesis
PANTHER Pathway Androgen/estrogene/progesterone biosynthesis
Pathway Interaction Database E2F transcription factor network
WikiPathways NRF2 pathway
Nuclear Receptors Meta-Pathway
Heroin metabolism
Irinotecan Pathway
Fluoropyrimidine Activity
Phase I biotransformations, non P450
References
Ref 527340Bioorg Med Chem Lett. 2005 Jan 17;15(2):385-8.Saucerneol B derivatives as human acyl-CoA: cholesterol acyltransferase inhibitors.
Ref 527138Bioorg Med Chem Lett. 2004 Aug 16;14(16):4277-80.Acyl-CoA: cholesterol acyltransferase inhibitory activities of fatty acid amides isolated from Mylabris phalerate Pallas.
Ref 527340Bioorg Med Chem Lett. 2005 Jan 17;15(2):385-8.Saucerneol B derivatives as human acyl-CoA: cholesterol acyltransferase inhibitors.

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