Drug Information

Drug General Information
Drug ID
D0GG7Z
Former ID
DNC014632
Drug Name
AFLATREME
Drug Type
Small molecular drug
Indication Discovery agent Investigative [551293]
Structure
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2D MOL

3D MOL
Formula
C32H39NO4
Canonical SMILES
CC1(C2C(=O)C=C3C4(CCC5CC6=C(C5(C4(CCC3(O2)O1)C)C)NC7=CC<br />=CC(=C67)C(C)(C)C=C)O)C
InChI
1S/C32H39NO4/c1-8-27(2,3)20-10-9-11-21-24(20)19-16-18-12-13-31(35)23-17-22(34)26-28(4,5)37-32(23,36-26)15-14-29(31,6)30(18,7)25(19)33-21/h8-11,17-18,26,33,35H,1,12-16H2,2-7H3/t18-,26-,29+,30+,31+,32-/m0/s1
InChIKey
YVDJBQQJIDPRKP-SLUQHKSNSA-N
PubChem Compound ID
21118293
Target and Pathway
Target(s) Gamma-aminobutyric acid receptor Target Info Inhibitor [551293]
References
Ref 551293Partial structures of the fungal toxin aflatrem, methyl-substituted 6,8-dioxabicyclo[3.2.1]octan-2-ones have anticonvulsant activity, Bioorg. Med. Chem. Lett. 5(3):265-270 (1995).
Ref 551293Partial structures of the fungal toxin aflatrem, methyl-substituted 6,8-dioxabicyclo[3.2.1]octan-2-ones have anticonvulsant activity, Bioorg. Med. Chem. Lett. 5(3):265-270 (1995).

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