Drug Information
| Drug General Information | Top | |||
|---|---|---|---|---|
| Drug ID |
D0S2TZ
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| Former ID |
DNC013151
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| Drug Name |
CYNAROPICRIN
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| Synonyms |
Cynaropicrin; aguerin; 35730-78-0; CHEMBL374146; CHEBI:4038; UNII-M9233789I9; M9233789I9; [(3aR,4S,6aR,8S,9aR,9bR)-8-hydroxy-3,6,9-trimethylidene-2-oxo-3a,4,5,6a,7,8,9a,9b-octahydroazuleno[4,5-b]furan-4-yl] 2-(hydroxymethyl)prop-2-enoate; AC1Q69JD; AC1L3O6W; SCHEMBL1711811; MEGxp0_001095; ACon1_000045; MolPort-001-741-258; ZINC4098049; HY-N2350; BDBM50194430; AKOS032971358; MCULE-5051144608; CS-8041; NCGC00168845-01; NCGC00168845-02; 2-Propenoic acid, 2-(hydroxymethyl)-, (3aR,4S,6aR,8S,9aR,9bR)-dodecahydro-8-hydroxy-3,6,9-tris(m
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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 |
C19H22O6
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| Canonical SMILES |
C=C1CC(C2C(C3C1CC(C3=C)O)OC(=O)C2=C)OC(=O)C(=C)CO
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| InChI |
1S/C19H22O6/c1-8-5-14(24-18(22)9(2)7-20)16-11(4)19(23)25-17(16)15-10(3)13(21)6-12(8)15/h12-17,20-21H,1-7H2/t12-,13-,14-,15-,16+,17+/m0/s1
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| InChIKey |
KHSCYOFDKADJDJ-NQLMQOPMSA-N
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| CAS Number |
CAS 35730-78-0
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| PubChem Compound ID | ||||
| ChEBI ID |
CHEBI:4038
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| Target and Pathway | Top | |||
|---|---|---|---|---|
| Target(s) | Bacterial UDP-N-acetylglucosamine carboxyvinyltransferase (Bact murA) | Target Info | Inhibitor | [1] |
| References | Top | |||
|---|---|---|---|---|
| REF 1 | Sesquiterpene lactones are potent and irreversible inhibitors of the antibacterial target enzyme MurA. Bioorg Med Chem Lett. 2006 Nov 1;16(21):5605-9. | |||
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