Drug Information
| Drug General Information | Top | |||
|---|---|---|---|---|
| Drug ID |
D0M3UR
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| Former ID |
DNC011432
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| Drug Name |
THYMELEATOXIN
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| Synonyms |
thymeleatoxin; 94482-56-1
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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 |
C36H36O10
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| Canonical SMILES |
CC1C(C2(C3C4C1(C5C=C(C(=O)C5(C(C6(C4O6)CO)O)O)C)OC(O3)(O2)C7=CC=CC=C7)C(=C)C)OC(=O)C=CC8=CC=CC=C8
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| InChI |
1S/C36H36O10/c1-19(2)34-28(42-25(38)16-15-22-11-7-5-8-12-22)21(4)35-24-17-20(3)27(39)33(24,41)31(40)32(18-37)29(43-32)26(35)30(34)44-36(45-34,46-35)23-13-9-6-10-14-23/h5-17,21,24,26,28-31,37,40-41H,1,18H2,2-4H3/b16-15+/t21-,24-,26-,28-,29+,30-,31-,32+,33-,34+,35-,36-/m1/s1
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| InChIKey |
OTTFLYUONKAFGT-KSFWXGPWSA-N
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| PubChem Compound ID | ||||
| References | Top | |||
|---|---|---|---|---|
| REF 1 | Structural basis of binding of high-affinity ligands to protein kinase C: prediction of the binding modes through a new molecular dynamics method a... J Med Chem. 2001 May 24;44(11):1690-701. | |||
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