Drug Information
| Drug General Information | Top | |||
|---|---|---|---|---|
| Drug ID |
D03DEO
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| Former ID |
DNC014297
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| Drug Name |
PALBINONE
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| Synonyms |
139954-00-0; AC1L4U4C; 18-Norandrosta-11,13(17)-diene-15,16-dione,3,17-dihydroxy-4,4,8,14-tetramethyl-, (3b,5a)-
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| Drug Type |
Small molecular drug
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| Indication | Discovery agent [ICD-11: N.A.] | Investigative | [1] | |
| Structure |
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Download2D MOL |
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| Formula |
C22H30O4
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| Canonical SMILES |
CC1(C2CCC3(C(C2(CCC1O)C)C=CC4=C(C(=O)C(=O)C43C)O)C)C
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| InChI |
1S/C22H30O4/c1-19(2)13-8-11-21(4)14(20(13,3)10-9-15(19)23)7-6-12-16(24)17(25)18(26)22(12,21)5/h6-7,13-15,23-24H,8-11H2,1-5H3/t13-,14+,15-,20-,21+,22-/m0/s1
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| InChIKey |
KIAKLFLISZCITK-PPAUHQMUSA-N
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| CAS Number |
CAS 139954-00-0
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| PubChem Compound ID | ||||
| ChEBI ID |
CHEBI:69584
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| Target and Pathway | Top | |||
|---|---|---|---|---|
| Target(s) | Aldose reductase (AKR1B1) | Target Info | Inhibitor | [1] |
| BioCyc | Methylglyoxal degradation III | |||
| Acetone degradation I (to methylglyoxal) | ||||
| KEGG Pathway | Pentose and glucuronate interconversions | |||
| Fructose and mannose metabolism | ||||
| Galactose metabolism | ||||
| Glycerolipid metabolism | ||||
| Metabolic pathways | ||||
| NetPath Pathway | IL1 Signaling Pathway | |||
| TGF_beta_Receptor Signaling Pathway | ||||
| Pathwhiz Pathway | Fructose and Mannose Degradation | |||
| Pyruvate Metabolism | ||||
| Pterine Biosynthesis | ||||
| Glycerolipid Metabolism | ||||
| Galactose Metabolism | ||||
| WikiPathways | Metapathway biotransformation | |||
| Polyol Pathway | ||||
| Metabolism of steroid hormones and vitamin D | ||||
| References | Top | |||
|---|---|---|---|---|
| REF 1 | Inhibitors of aldose reductase and formation of advanced glycation end-products in moutan cortex (Paeonia suffruticosa). J Nat Prod. 2009 Aug;72(8):1465-70. | |||
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