Drug Information
| Drug General Information | Top | |||
|---|---|---|---|---|
| Drug ID |
D06LED
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| Former ID |
DNC003477
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| Drug Name |
7,8-dihydroxy-4-phenyl-2H-chromen-2-one
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| Synonyms |
7,8-dihydroxy-4-phenyl-2H-chromen-2-one; 842-01-3; 7,8-Dihydroxy-4-phenylcoumarin; 7,8-dihydroxy-4-phenylchromen-2-one; 2zvj; AC1NTWI0; AC1Q78GB; Oprea1_803491; IFLab1_001650; SCHEMBL1181304; CHEMBL1233867; 4-phenyl-7,8-dihydroxycoumarin; CTK5F1973; 4-phenyl-7,8-dihydroxycoumarine; DTXSID10419942; MolPort-000-852-912; JRVIIPJSVKTPBK-UHFFFAOYSA-N; ZINC406883; HMS1416K22; DNDI1417012; ALBB-015578; BBL029555; 0375AF; STL372126; AKOS005175244; MCULE-8639896630; DB08049; 7,8-dihydroxy-4-phenyl-chromen-2-one; 7,8-DIHYDROXY-4-PHENYL COUMARIN
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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 |
C15H10O4
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| Canonical SMILES |
C1=CC=C(C=C1)C2=CC(=O)OC3=C2C=CC(=C3O)O
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| InChI |
1S/C15H10O4/c16-12-7-6-10-11(9-4-2-1-3-5-9)8-13(17)19-15(10)14(12)18/h1-8,16,18H
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| InChIKey |
JRVIIPJSVKTPBK-UHFFFAOYSA-N
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| CAS Number |
CAS 842-01-3
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| PubChem Compound ID | ||||
| PubChem Substance ID |
1096864, 3441879, 6898769, 11355229, 11673324, 24880861, 25622547, 39419758, 48111216, 56435695, 77801129, 84975604, 88500944, 92094532, 99293491, 99444520, 104250031, 113957547, 117614478, 124410039, 128318496, 135377049, 137495990, 160969104, 162920290, 163644386, 166235709, 170481947, 173895510, 176250875, 184016409, 223360574, 223531672, 224480775, 225238694, 227417228, 252459757
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| Target and Pathway | Top | |||
|---|---|---|---|---|
| Target(s) | Catechol-O-methyl-transferase (COMT) | Target Info | Inhibitor | [1] |
| BioCyc | L-dopa degradation | |||
| Dopamine degradation | ||||
| Noradrenaline and adrenaline degradation | ||||
| KEGG Pathway | Steroid hormone biosynthesis | |||
| Tyrosine metabolism | ||||
| Metabolic pathways | ||||
| Dopaminergic synapse | ||||
| Panther Pathway | Adrenaline and noradrenaline biosynthesis | |||
| Dopamine receptor mediated signaling pathway | ||||
| Pathwhiz Pathway | Tyrosine Metabolism | |||
| WikiPathways | Methylation Pathways | |||
| Metapathway biotransformation | ||||
| Estrogen metabolism | ||||
| Biogenic Amine Synthesis | ||||
| Dopamine metabolism | ||||
| Phase II conjugation | ||||
| Neurotransmitter Clearance In The Synaptic Cleft | ||||
| References | Top | |||
|---|---|---|---|---|
| REF 1 | The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42. | |||
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