Drug Information
| Drug General Information | |||||
|---|---|---|---|---|---|
| Drug ID |
D0J5OV
|
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| Former ID |
DNC000417
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| Drug Name |
Chebulagic acid
|
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| Drug Type |
Small molecular drug
|
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| Indication | Discovery agent | Investigative | [537395] | ||
| Structure |
|
Download2D MOL |
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| Formula |
C41H30O27
|
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| Canonical SMILES |
C1C2C3C(C(C(O2)OC(=O)C4=CC(=C(C(=C4)O)O)O)OC(=O)C5=CC(=<br />C(C6=C5C(C(C(=O)O3)CC(=O)O)C(C(=O)O6)O)O)O)OC(=O)C7=CC(<br />=C(C(=C7C8=C(C(=C(C=C8C(=O)O1)O)O)O)O)O)O
|
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| InChI |
1S/C41H30O27/c42-13-1-8(2-14(43)24(13)49)35(56)68-41-34-33-31(64-39(60)12(6-19(47)48)22-23-11(38(59)67-34)5-17(46)27(52)32(23)65-40(61)30(22)55)18(63-41)7-62-36(57)9-3-15(44)25(50)28(53)20(9)21-10(37(58)66-33)4-16(45)26(51)29(21)54/h1-5,12,18,22,30-31,33-34,41-46,49-55H,6-7H2,(H,47,48)/t12-,18+,22-,30-,31?,33-,34+,41-/m0/s1
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| InChIKey |
HGJXAVROWQLCTP-VMXBZOPGSA-N
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| CAS Number |
CAS 23094-71-5
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| PubChem Compound ID | |||||
| PubChem Substance ID | |||||
| Target and Pathway | |||||
| Target(s) | Arachidonate 5-lipoxygenase | Target Info | Inhibitor | [537395] | |
| NetPath Pathway | IL4 Signaling Pathway | ||||
| PathWhiz Pathway | Arachidonic Acid Metabolism | ||||
| References | |||||
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