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6-OXOTINGENOL
FEATURES
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NAMES
  • 6-Oxotingenol
SMILES
Cc1c(O)c(O)cc2c1C(=O)C=C1[C@@]3(C)CC[C@@]4(C)CC(=O)[C@H](C)C[C@H]4[C@]3(C)CC[C@]12C
InChI
InChI=1S/C28H36O4/c1-15-11-21-25(3,14-20(15)31)7-9-28(6)22-13-18(29)23-16(2)24(32)19(30)12-17(23)26(22,4)8-10-27(21,28)5/h12-13,15,21,30,32H,7-11,14H2,1-6H3/t15-,21-,25+,26+,27+,28-/m1/s1
MOLECULAR FORMULA
C28H36O4
CROSS REFERENCES
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6-OXOTINGENOL

Compound Synopsis

OVERVIEW
PROPERTIES
Molecular weight 436.26
AlogP 6.01
HBond donors 2
HBond acceptors 4
Atoms 68
Contains toxicophore Yes
Contains PAINS Yes
Commercially available Unknown
Property color indications are based on Lipinski's Ro5.
PROTEIN TARGETS
No information about proteins targeted by 6-OXOTINGENOL.