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AJUGAMARIN A2 CHLOROHYDRIN
FEATURES
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NAMES
  • Ajugamarin A2 Chlorohydrin
SMILES
C/C=C(\C)C(=O)O[C@@H]1CC[C@](O)(CCl)[C@]2(COC(C)=O)[C@@H](OC(C)=O)C[C@@H](C)[C@](C)(C[C@H](OC(C)=O)C3=CC(=O)OC3)[C@@H]12
InChI
InChI=1S/C31H43ClO11/c1-8-17(2)28(37)43-23-9-10-30(38,15-32)31(16-40-19(4)33)25(42-21(6)35)11-18(3)29(7,27(23)31)13-24(41-20(5)34)22-12-26(36)39-14-22/h8,12,18,23-25,27,38H,9-11,13-16H2,1-7H3/b17-8+/t18-,23-,24+,25+,27-,29+,30+,31-/m1/s1
MOLECULAR FORMULA
C31H43ClO11
CROSS REFERENCES
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AJUGAMARIN A2 CHLOROHYDRIN

Compound Synopsis

OVERVIEW
PROPERTIES
Molecular weight 626.25
AlogP 3.58
HBond donors 1
HBond acceptors 11
Atoms 86
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 AJUGAMARIN A2 CHLOROHYDRIN.