Drug Information
| Drug General Information | Top | |||
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| Drug ID |
D0U9QB
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| Former ID |
DNC010807
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| Drug Name |
DEHYDROLEUCODIN
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| Synonyms |
Dehydroleucodin; Dehydroleucodine; 36150-07-9; NSC 180034; CHEMBL441260; Azuleno(4,5-b)furan-2,7-dione, 3,3a,4,5,9a,9b-hexahydro-6,9-dimethyl-3-methylene-, (3aS-(3aalpha,9aalpha,9bbeta))-; Lidbeckialactone; Mesatlantin E; 11,13-Dehydroleucodin; AC1L2JV1; AC1Q69JZ; (3as,9as,9bs)-6,9-dimethyl-3-methylidene-3,3a,4,5,9a,9b-hexahydroazuleno[4,5-b]furan-2,7-dione; SCHEMBL4998391; CTK4H5993; ZINC5202250; Dehydroleucodine, > BDBM50318392; NCGC00485131-01; LS-182153
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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 |
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| Formula |
C15H16O3
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| Canonical SMILES |
CC1=C2C(C3C(CC1)C(=C)C(=O)O3)C(=CC2=O)C
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| InChI |
1S/C15H16O3/c1-7-4-5-10-9(3)15(17)18-14(10)13-8(2)6-11(16)12(7)13/h6,10,13-14H,3-5H2,1-2H3/t10-,13-,14-/m0/s1
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| InChIKey |
SKNVIAFTENCNGB-BPNCWPANSA-N
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| CAS Number |
CAS 36150-07-9
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| PubChem Compound ID | ||||
| Target and Pathway | Top | |||
|---|---|---|---|---|
| Target(s) | Aromatase (CYP19A1) | Target Info | Inhibitor | [1] |
| BioCyc | Superpathway of steroid hormone biosynthesis | |||
| Estradiol biosynthesis II | ||||
| Estradiol biosynthesis I | ||||
| KEGG Pathway | Steroid hormone biosynthesis | |||
| Metabolic pathways | ||||
| Ovarian steroidogenesis | ||||
| NetPath Pathway | FSH Signaling Pathway | |||
| Panther Pathway | Androgen/estrogene/progesterone biosynthesis | |||
| Pathwhiz Pathway | Androgen and Estrogen Metabolism | |||
| Reactome | Endogenous sterols | |||
| WikiPathways | Metapathway biotransformation | |||
| Tryptophan metabolism | ||||
| Oxidation by Cytochrome P450 | ||||
| Ovarian Infertility Genes | ||||
| Metabolism of steroid hormones and vitamin D | ||||
| FSH signaling pathway | ||||
| Integrated Breast Cancer Pathway | ||||
| Phase 1 - Functionalization of compounds | ||||
| References | Top | |||
|---|---|---|---|---|
| REF 1 | Pharmacophore modeling strategies for the development of novel nonsteroidal inhibitors of human aromatase (CYP19). Bioorg Med Chem Lett. 2010 May 15;20(10):3050-64. | |||
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