Drug Information
| Drug General Information | Top | |||
|---|---|---|---|---|
| Drug ID |
D0Z7BK
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| Former ID |
DNC013993
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| Drug Name |
CLEMATOMANDSHURICA SAPONIN B
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| Synonyms |
CHEMBL525269; BDBM50241848; 6)-[(2-O-isoferuloyl)-beta-D-glucopyranosyl]-(1-> 3)-alpha-L-rhamnopyranosyl-(1-> 2)-alpha-L-arabinopyranosyloleanolic acid-28-O-alpha-L-rhamnopyranosyl-(1->
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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 |
C92H142O46
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| Canonical SMILES |
CC1C(C(C(C(O1)OCC2C(C(C(C(O2)OC3C(OC(C(C3O)O)OC4COC(C(C4O)O)OC5C(C(OC(C5O)OC6C(C(COC6OC7CCC8(C(C7(C)C)CCC9(C8CC=C1C9(CCC2(C1CC(CC2)(C)C)C(=O)OC1C(C(C(C(O1)COC1C(C(C(C(O1)CO)OC1C(C(C(C(O1)C)O)O)O)O)O)O)O)O)C)C)C)O)O)C)O)CO)OC(=O)C=CC1=CC(=C(C=C1)OC)O)O)O)O)O)O
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| InChI |
1S/C92H142O46/c1-34-52(98)59(105)66(112)77(124-34)121-32-46-57(103)62(108)76(133-51(97)17-13-37-12-15-42(119-11)40(95)26-37)85(131-46)135-73-44(29-94)128-81(70(116)64(73)110)129-47-33-123-79(65(111)58(47)104)136-74-54(100)36(3)126-83(71(74)117)137-75-55(101)41(96)30-120-84(75)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)138-82-68(114)61(107)56(102)45(130-82)31-122-78-69(115)63(109)72(43(28-93)127-78)134-80-67(113)60(106)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 |
NMYXWQYOXWOLSB-ZSBIDDPTSA-N
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| PubChem Compound ID | ||||
| References | Top | |||
|---|---|---|---|---|
| REF 1 | Triterpene saponins from clematis mandshurica. J Nat Prod. 2006 Nov;69(11):1591-5. | |||
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