Drug Information
| Drug General Information | Top | |||
|---|---|---|---|---|
| Drug ID |
D00RAO
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| Former ID |
DNC006361
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| Drug Name |
4,5-ISOBUDLEIN A
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| Synonyms |
4,5-isobudlein A
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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 |
C20H22O7
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| Canonical SMILES |
CC=C(C)C(=O)OC1CC2(C(=O)C=C(O2)C(=C)C(C3C1C(=C)C(=O)O3)O)C
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| InChI |
1S/C20H22O7/c1-6-9(2)18(23)25-13-8-20(5)14(21)7-12(27-20)10(3)16(22)17-15(13)11(4)19(24)26-17/h6-7,13,15-17,22H,3-4,8H2,1-2,5H3/b9-6-/t13-,15-,16+,17+,20-/m1/s1
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| InChIKey |
LEMMNOMGQFFVKL-NPUWKFQTSA-N
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| PubChem Compound ID | ||||
| References | Top | |||
|---|---|---|---|---|
| REF 1 | Development of a structural model for NF-kappaB inhibition of sesquiterpene lactones using self-organizing neural networks. J Med Chem. 2006 Apr 6;49(7):2241-52. | |||
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