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(22,23-3H2)Dihydroazadirachtin
FEATURES
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NAMES
  • (22,23-3H2)Dihydroazadirachtin
SMILES
[3H]C1O[C@H]2O[C@H]3C[C@@H]([C@@]2(O)C1[3H])[C@]1(C)O[C@]31[C@]1(C)[C@H](O)[C@@H]2OC[C@]3(C(=O)O)[C@H](OC(C)=O)C[C@H](OC(=O)/C(C)=C/C)[C@@]4(CO[C@](O)(C(=O)OC)[C@H]41)[C@@H]23
InChI
InChI=1S/C34H44O16/c1-7-14(2)23(37)48-17-11-18(47-15(3)35)31(25(38)39)12-45-20-21(31)30(17)13-46-33(42,26(40)43-6)24(30)28(4,22(20)36)34-19-10-16(29(34,5)50-34)32(41)8-9-44-27(32)49-19/h7,16-22,24,27,36,41-42H,8-13H2,1-6H3,(H,38,39)/b14-7+/t16-,17+,18-,19+,20-,21-,22-,24+,27+,28-,29+,30+,31+,32+,33+,34+/m1/s1/i8T,9T/t8?,9?,16-,17+,18-,19+,20-,21-,22-,24+,27+,28-,29+,30+,31+,32+,33+,34+
MOLECULAR FORMULA
C34H44O16
CROSS REFERENCES
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(22,23-3H2)Dihydroazadirachtin

Compound Synopsis

OVERVIEW
PROPERTIES
Molecular weight 712.28
AlogP -0.42
HBond donors 4
HBond acceptors 16
Atoms 94
Contains toxicophore Yes
Contains PAINS No
Commercially available Unknown
Property color indications are based on Lipinski's Ro5.
PROTEIN TARGETS
No information about proteins targeted by (22,23-3H2)Dihydroazadirachtin.