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Juncin O
FEATURES
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NAMES
  • Juncin O
SMILES
C=C1/C=C/[C@H](OC(C)=O)[C@]2(C)[C@@H]([C@H](OC(C)=O)[C@]3(O)[C@@H](C)C(=O)O[C@H]3[C@H]1Cl)[C@@]1(CO1)[C@H](OC(C)=O)[C@H](OC(=O)CC(C)C)[C@@H]2OC(C)=O
InChI
InChI=1S/C33H43ClO14/c1-14(2)12-22(39)47-24-27(44-18(6)36)31(9)21(43-17(5)35)11-10-15(3)23(34)26-33(41,16(4)30(40)48-26)29(46-20(8)38)25(31)32(13-42-32)28(24)45-19(7)37/h10-11,14,16,21,23-29,41H,3,12-13H2,1-2,4-9H3/b11-10+/t16-,21-,23-,24+,25+,26-,27-,28+,29-,31+,32-,33-/m0/s1
MOLECULAR FORMULA
C33H43ClO14
CROSS REFERENCES
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Juncin O

Compound Synopsis

OVERVIEW
PROPERTIES
Molecular weight 698.23
AlogP 2.10
HBond donors 1
HBond acceptors 14
Atoms 91
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 Juncin O.