Drug Information
| Drug General Information | Top | |||
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| Drug ID |
D09FBD
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| Former ID |
DNC005375
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| Drug Name |
MOLEPHANTIN
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| Synonyms |
Molephantin; BRN 1329450; 2-Propenoic acid, 2-methyl-, 2,3,3a,4,5,8,11,11a-octahydro-11-hydroxy-6,10-dimethyl-3-methylene-2,8-dioxocyclodeca(b)furan-4-yl ester, (3aR-(3aR*,4S*,6E,9Z,11S*,11aS*))-; AC1O5UKZ; LS-123706; 5-18-04-00355 (Beilstein Handbook Reference); [(3aR,4S,6Z,9Z,11S,11aS)-11-hydroxy-6,10-dimethyl-3-methylidene-2,8-dioxo-4,5,11,11a-tetrahydro-3aH-cyclodeca[b]furan-4-yl] 2-methylprop-2-enoate
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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 |
CC1=CC(=O)C=C(C(C2C(C(C1)OC(=O)C(=C)C)C(=C)C(=O)O2)O)C
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| InChI |
1S/C19H22O6/c1-9(2)18(22)24-14-7-10(3)6-13(20)8-11(4)16(21)17-15(14)12(5)19(23)25-17/h6,8,14-17,21H,1,5,7H2,2-4H3/b10-6+,11-8-/t14-,15+,16-,17-/m0/s1
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| InChIKey |
LXINRHXYVUTAMQ-UKKSPWLWSA-N
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| PubChem Compound ID | ||||
| PubChem Substance ID | ||||
| ChEBI ID |
CHEBI:6962
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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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