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9-Deoxyxenialactol-C
FEATURES
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NAMES
  • 9-Deoxyxenialactol-C
SMILES
C=C1CC/C=C(\C)CC[C@@H]2/C(=C\C=C\C(C)(C)O)CO[C@H](O)[C@@H]12
InChI
InChI=1S/C20H30O3/c1-14-7-5-8-15(2)18-17(11-10-14)16(13-23-19(18)21)9-6-12-20(3,4)22/h6-7,9,12,17-19,21-22H,2,5,8,10-11,13H2,1,3-4H3/b12-6+,14-7+,16-9-/t17-,18+,19+/m1/s1
MOLECULAR FORMULA
C20H30O3
CROSS REFERENCES
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9-Deoxyxenialactol-C

Compound Synopsis

OVERVIEW
PROPERTIES
Molecular weight 318.22
AlogP 3.90
HBond donors 2
HBond acceptors 3
Atoms 53
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 9-Deoxyxenialactol-C.