Drug Information
| Drug General Information | Top | |||
|---|---|---|---|---|
| Drug ID |
D0A2NK
|
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| Former ID |
DNC004870
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| Drug Name |
PYRIPYROPENE A
|
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| Drug Type |
Small molecular drug
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| Indication | Discovery agent [ICD-11: N.A.] | Investigative | [1] | |
| Structure |
 |
Download2D MOL |
||
| Formula |
C31H37NO10
|
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| Canonical SMILES |
CC(=O)OCC1(C(CCC2(C1CC(C3(C2C(C4=C(O3)C=C(OC4=O)C5=CN=CC=C5)O)C)OC(=O)C)C)OC(=O)C)C
|
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| 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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| CAS Number |
CAS 147444-03-9
|
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| PubChem Compound ID | ||||
| ChEBI ID |
CHEBI:64695
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| Target and Pathway | Top | |||
|---|---|---|---|---|
| Target(s) | Liver carboxylesterase (CES1) | Target Info | Inhibitor | [2] |
| SOAT2 messenger RNA (SOAT2 mRNA) | Target Info | Inhibitor | [1] | |
| KEGG Pathway | Drug metabolism - other enzymes | |||
| Metabolic pathways | ||||
| 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 | Top | |||
|---|---|---|---|---|
| REF 1 | Saucerneol B derivatives as human acyl-CoA: cholesterol acyltransferase inhibitors. Bioorg Med Chem Lett. 2005 Jan 17;15(2):385-8. | |||
| REF 2 | Acyl-CoA: cholesterol acyltransferase inhibitory activities of fatty acid amides isolated from Mylabris phalerate Pallas. Bioorg Med Chem Lett. 2004 Aug 16;14(16):4277-80. | |||
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