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7-Deacetoxyyanuthone
FEATURES
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NAMES
  • 7-Deacetoxyyanuthone
SMILES
CC(C)=CCC/C(C)=C/CC/C(C)=C/C[C@@]12O[C@@H]1[C@H](O)C(C)=CC2=O
InChI
InChI=1S/C22H32O3/c1-15(2)8-6-9-16(3)10-7-11-17(4)12-13-22-19(23)14-18(5)20(24)21(22)25-22/h8,10,12,14,20-21,24H,6-7,9,11,13H2,1-5H3/b16-10+,17-12+/t20-,21-,22+/m1/s1
MOLECULAR FORMULA
C22H32O3
CROSS REFERENCES
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7-Deacetoxyyanuthone

Compound Synopsis

OVERVIEW
PROPERTIES
Molecular weight 344.24
AlogP 4.82
HBond donors 1
HBond acceptors 3
Atoms 57
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 7-Deacetoxyyanuthone.