Drug Information
| Drug General Information | Top | |||
|---|---|---|---|---|
| Drug ID |
D07RGP
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| Former ID |
DNC006042
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| Drug Name |
ASKENDOSIDE B
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| Synonyms |
askendoside B; CHEMBL411981
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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 |
C47H76O18
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| Canonical SMILES |
CC(=O)OC1C(COC(C1OC2C(C(C(CO2)O)O)O)OC3CCC45CC46CCC7(C(C(CC7(C6CC(C5C3(C)C)OC8C(C(C(CO8)O)O)O)C)O)C9(CCC(O9)C(C)(C)O)C)C)O
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| InChI |
1S/C47H76O18/c1-21(48)61-34-25(52)19-60-40(35(34)64-39-33(56)31(54)24(51)18-59-39)63-28-10-12-47-20-46(47)14-13-43(6)36(45(8)11-9-29(65-45)42(4,5)57)22(49)16-44(43,7)27(46)15-26(37(47)41(28,2)3)62-38-32(55)30(53)23(50)17-58-38/h22-40,49-57H,9-20H2,1-8H3/t22-,23+,24-,25+,26-,27-,28-,29+,30-,31-,32+,33+,34-,35+,36-,37-,38-,39-,40-,43+,44-,45+,46-,47+/m0/s1
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| InChIKey |
BTTRQTJYXLOSMR-WEWBRACISA-N
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| PubChem Compound ID | ||||
| Target and Pathway | Top | |||
|---|---|---|---|---|
| Target(s) | Tyrosinase (TYR) | Target Info | Inhibitor | [1] |
| BioCyc | (S)-reticuline biosynthesis | |||
| Eumelanin biosynthesis | ||||
| L-dopachrome biosynthesis | ||||
| KEGG Pathway | Tyrosine metabolism | |||
| Riboflavin metabolism | ||||
| Metabolic pathways | ||||
| Melanogenesis | ||||
| Pathwhiz Pathway | Riboflavin Metabolism | |||
| Tyrosine Metabolism | ||||
| WikiPathways | Dopamine metabolism | |||
| References | Top | |||
|---|---|---|---|---|
| REF 1 | New tyrosinase inhibitors selected by atomic linear indices-based classification models. Bioorg Med Chem Lett. 2006 Jan 15;16(2):324-30. | |||
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