Drug General Information
Drug ID
D07RGP
Former ID
DNC006042
Drug Name
ASKENDOSIDE B
Drug Type
Small molecular drug
Indication Discovery agent Investigative [527850]
Structure
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2D MOL

3D MOL

Formula
C47H76O18
Canonical SMILES
CC(=O)OC1C(COC(C1OC2C(C(C(CO2)O)O)O)OC3CCC45CC46CCC7(C(<br />C(CC7(C6CC(C5C3(C)C)OC8C(C(C(CO8)O)O)O)C)O)C9(CCC(O9)C(<br />C)(C)O)C)C)O
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
InChIKey
BTTRQTJYXLOSMR-WEWBRACISA-N
PubChem Compound ID
Target and Pathway
Target(s) Tyrosine oxidase Target Info Inhibitor [527850]
BioCyc Pathway (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
Ref 527850Bioorg Med Chem Lett. 2006 Jan 15;16(2):324-30. Epub 2005 Nov 3.New tyrosinase inhibitors selected by atomic linear indices-based classification models.
Ref 527850Bioorg Med Chem Lett. 2006 Jan 15;16(2):324-30. Epub 2005 Nov 3.New tyrosinase inhibitors selected by atomic linear indices-based classification models.

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