Drug Information
| Drug General Information | |||||
|---|---|---|---|---|---|
| Drug ID |
D07HKJ
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| Former ID |
DNC013992
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| Drug Name |
CLEMATOMANDSHURICA SAPONIN A
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| Indication | Discovery agent | Investigative | [528538] | ||
| Structure |
|
Download2D MOL |
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| Formula |
C92H142O46
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| Canonical SMILES |
CC1C(C(C(C(O1)OCC2C(C(C(C(O2)OC3C(C(OC(C3O)OC4COC(C(C4O<br />)O)OC5C(C(OC(C5O)OC6C(C(COC6OC7CCC8(C(C7(C)C)CCC9(C8CC=<br />C1C9(CCC2(C1CC(CC2)(C)C)C(=O)OC1C(C(C(C(O1)COC1C(C(C(C(<br />O1)CO)OC1C(C(C(C(O1)C)O)O)O)O)O)O)O)O)C)C)C)O)O)C)O)CO)<br />O)O)OC(=O)C=CC1=CC(=C(C=C1)OC)O)O)O)O)O
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| InChI |
1S/C92H142O46/c1-34-52(98)60(106)65(111)77(124-34)121-33-47-59(105)74(133-51(97)17-13-37-12-15-42(119-11)40(95)26-37)70(116)84(131-47)136-75-58(104)43(28-93)127-83(71(75)117)130-46-32-123-79(64(110)57(46)103)135-73-54(100)36(3)126-82(69(73)115)137-76-55(101)41(96)30-120-85(76)132-50-19-20-89(8)48(88(50,6)7)18-21-91(10)49(89)16-14-38-39-27-87(4,5)22-24-92(39,25-23-90(38,91)9)86(118)138-81-67(113)62(108)56(102)45(129-81)31-122-78-68(114)63(109)72(44(29-94)128-78)134-80-66(112)61(107)53(99)35(2)125-80/h12-15,17,26,34-36,39,41,43-50,52-85,93-96,98-117H,16,18-25,27-33H2,1-11H3/b17-13+/t34-,35-,36-,39-,41-,43+,44+,45+,46+,47+,48-,49+,50-,52-,53-,54-,55-,56+,57+,58+,59+,60+,61+,62-,63+,64+,65+,66+,67+,68+,69+,70+,71+,72+,73+,74-,75-,76+,77+,78+,79-,80-,81-,82-,83-,84-,85-,89-,90+,91+,92-/m0/s1
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| InChIKey |
NPRWMYIWVVAUEC-KQFZDZHOSA-N
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| PubChem Compound ID | |||||
| Target and Pathway | |||||
| Target(s) | Prostaglandin G/H synthase 2 | Target Info | Inhibitor | [528538] | |
| KEGG Pathway | Arachidonic acid metabolism | ||||
| Metabolic pathways | |||||
| NF-kappa B signaling pathway | |||||
| VEGF signaling pathway | |||||
| TNF signaling pathway | |||||
| Retrograde endocannabinoid signaling | |||||
| Serotonergic synapse | |||||
| Ovarian steroidogenesis | |||||
| Oxytocin signaling pathway | |||||
| Regulation of lipolysis in adipocytes | |||||
| Leishmaniasis | |||||
| Pathways in cancer | |||||
| Chemical carcinogenesis | |||||
| MicroRNAs in cancer | |||||
| Small cell lung cancer | |||||
| PathWhiz Pathway | Arachidonic Acid Metabolism | ||||
| References | |||||
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