Drug Information
| Drug General Information | Top | |||
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| Drug ID |
D00SRS
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| Former ID |
DNC005382
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| Drug Name |
BUDLEIN A
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| Synonyms |
Budlein A tiglate; CHEMBL189707; BDBM50433422; (E)-2-Methyl-2-butenoic acid [(3aR,4R,6R,10Z,11aR)-2,3,3a,4,5,6,7,11a-octahydro-10-hydroxymethyl-6-methyl-3-methylene-2,7-dioxo-6,9-epoxycyclodeca[b]furan]-4-yl ester
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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 |
C20H22O7
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| Canonical SMILES |
CC=C(C)C(=O)OC1CC2(C(=O)C=C(O2)C(=CC3C1C(=C)C(=O)O3)CO)C
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| InChI |
1S/C20H22O7/c1-5-10(2)18(23)26-15-8-20(4)16(22)7-13(27-20)12(9-21)6-14-17(15)11(3)19(24)25-14/h5-7,14-15,17,21H,3,8-9H2,1-2,4H3/b10-5-,12-6-/t14-,15-,17+,20-/m1/s1
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| InChIKey |
BMVJFNLJSZHNNS-ZXRHVTAXSA-N
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| CAS Number |
CAS 59481-48-0
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| PubChem Compound ID | ||||
| ChEBI ID |
CHEBI:3208
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| References | Top | |||
|---|---|---|---|---|
| REF 1 | Quantitative structure-activity relationship of sesquiterpene lactones as inhibitors of the transcription factor NF-kappaB. J Med Chem. 2004 Nov 18;47(24):6042-54. | |||
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