Drug Information
| Drug General Information | |||||
|---|---|---|---|---|---|
| Drug ID |
D02ABO
|
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| Former ID |
DNC007019
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| Drug Name |
NARINGENIN
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| Drug Type |
Small molecular drug
|
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| Indication | Discovery agent | Phase 1 | [522980] | ||
| Structure |
|
Download2D MOL |
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| Formula |
C15H12O5
|
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| Canonical SMILES |
C1C(OC2=CC(=CC(=C2C1=O)O)O)C3=CC=C(C=C3)O
|
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| InChI |
1S/C15H12O5/c16-9-3-1-8(2-4-9)13-7-12(19)15-11(18)5-10(17)6-14(15)20-13/h1-6,13,16-18H,7H2/t13-/m0/s1
|
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| InChIKey |
FTVWIRXFELQLPI-ZDUSSCGKSA-N
|
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| CAS Number |
CAS 480-41-1
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| PubChem Compound ID | |||||
| Target and Pathway | |||||
| Target(s) | Lactoylglutathione lyase | Target Info | Inhibitor | [529300] | |
| Estrogen receptor beta | Target Info | Inhibitor | [528557] | ||
| Cytochrome P450 1B1 | Target Info | Inhibitor | [531094] | ||
| Cytochrome P450 19 | Target Info | Inhibitor | [530867] | ||
| Estradiol 17 beta-dehydrogenase 1 | Target Info | Inhibitor | [529519] | ||
| BioCyc Pathway | Methylglyoxal degradation IPWY66-401:Superpathway of tryptophan utilization | ||||
| Superpathway of melatonin degradation | |||||
| Melatonin degradation IPWY-7305:Superpathway of steroid hormone biosynthesis | |||||
| Estradiol biosynthesis II | |||||
| Estradiol biosynthesis IPWY-7305:Superpathway of steroid hormone biosynthesis | |||||
| Estradiol biosynthesis I | |||||
| KEGG Pathway | Pyruvate metabolismhsa04915:Estrogen signaling pathway | ||||
| Prolactin signaling pathwayhsa00140:Steroid hormone biosynthesis | |||||
| Tryptophan metabolism | |||||
| Metabolism of xenobiotics by cytochrome P450 | |||||
| Ovarian steroidogenesis | |||||
| Chemical carcinogenesis | |||||
| MicroRNAs in cancerhsa00140:Steroid hormone biosynthesis | |||||
| Metabolic pathways | |||||
| Ovarian steroidogenesishsa00140:Steroid hormone biosynthesis | |||||
| WikiPathways | SIDS Susceptibility Pathways | ||||
| Ovarian Infertility Genes | |||||
| Integrated Pancreatic Cancer Pathway | |||||
| Nuclear ReceptorsWP702:Metapathway biotransformation | |||||
| Estrogen metabolism | |||||
| Benzo(a)pyrene metabolism | |||||
| Tamoxifen metabolism | |||||
| Tryptophan metabolism | |||||
| Oxidation by Cytochrome P450 | |||||
| Nuclear Receptors Meta-Pathway | |||||
| Estrogen Receptor Pathway | |||||
| Sulindac Metabolic Pathway | |||||
| Arylhydrocarbon receptor (AhR) signaling pathway | |||||
| miR-targeted genes in muscle cell - TarBase | |||||
| miR-targeted genes in lymphocytes - TarBase | |||||
| miR-targeted genes in epithelium - TarBase | |||||
| miR-targeted genes in adipocytes - TarBase | |||||
| Phase 1 - Functionalization of compoundsWP702:Metapathway biotransformation | |||||
| Metabolism of steroid hormones and vitamin D | |||||
| FSH signaling pathway | |||||
| Integrated Breast Cancer Pathway | |||||
| Phase 1 - Functionalization of compoundsWP496:Steroid Biosynthesis | |||||
| Prostate Cancer | |||||
| References | |||||
| Ref 528557 | J Med Chem. 2006 Dec 14;49(25):7357-65.Subtle side-chain modifications of the hop phytoestrogen 8-prenylnaringenin result in distinct agonist/antagonist activity profiles for estrogen receptors alphaand beta. | ||||
| Ref 529300 | Bioorg Med Chem. 2008 Apr 1;16(7):3969-75. Epub 2008 Jan 24.Structure-activity relationship of human GLO I inhibitory natural flavonoids and their growth inhibitory effects. | ||||
| Ref 529519 | J Med Chem. 2008 Jul 24;51(14):4188-99. Epub 2008 Jun 6.Discovery of nonsteroidal 17beta-hydroxysteroid dehydrogenase 1 inhibitors by pharmacophore-based screening of virtual compound libraries. | ||||
| Ref 530867 | Bioorg Med Chem Lett. 2010 May 15;20(10):3050-64. Epub 2010 Apr 8.Pharmacophore modeling strategies for the development of novel nonsteroidal inhibitors of human aromatase (CYP19). | ||||
| Ref 531094 | Bioorg Med Chem. 2010 Sep 1;18(17):6310-5. Epub 2010 Jul 13.Selective inhibition of methoxyflavonoids on human CYP1B1 activity. | ||||
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