Iso-Dulcinol
FEATURES
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NAMES
  • Iso-Dulcinol
SMILES
CC1(C)[C@@H](O)CC[C@@]2(C)[C@H]1[C@H](OC(=O)c1ccccc1)C[C@H]1CC(=O)[C@]3(C)CC[C@]12C3
InChI
InChI=1S/C27H36O4/c1-24(2)20(28)10-11-26(4)22(24)19(31-23(30)17-8-6-5-7-9-17)14-18-15-21(29)25(3)12-13-27(18,26)16-25/h5-9,18-20,22,28H,10-16H2,1-4H3/t18-,19+,20-,22-,25+,26-,27-/m0/s1
MOLECULAR FORMULA
C27H36O4
CROSS REFERENCES
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Iso-Dulcinol
Compound Synopsis
OVERVIEW
PROPERTIES
Molecular weight424.26
AlogP5.18
HBond donors1
HBond acceptors4
Atoms67
Contains toxicophoreNo
Contains PAINSNo
Commercially availableUnknown
Property color indications are based on Lipinski's Ro5.
PROTEIN TARGETS
No information about proteins targeted by Iso-Dulcinol.