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(+)-(5R,7R,9R,11S)-Herbarone
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NAMES
  • (+)-(5R,7R,9R,11S)-Herbarone
SMILES
COc1cc(OC)c2c(c1)C(=O)[C@@H]1C[C@@H](O)C[C@@]2(O)[C@@H]1CO
InChI
InChI=1S/C16H20O6/c1-21-9-4-11-14(13(5-9)22-2)16(20)6-8(18)3-10(15(11)19)12(16)7-17/h4-5,8,10,12,17-18,20H,3,6-7H2,1-2H3/t8-,10-,12-,16-/m1/s1
MOLECULAR FORMULA
C16H20O6
CROSS REFERENCES
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(+)-(5R,7R,9R,11S)-Herbarone

Compound Synopsis

OVERVIEW
PROPERTIES
Molecular weight 308.13
AlogP 0.47
HBond donors 3
HBond acceptors 6
Atoms 42
Contains toxicophore No
Contains PAINS No
Commercially available Unknown
Property color indications are based on Lipinski's Ro5.
PROTEIN TARGETS
No information about proteins targeted by (+)-(5R,7R,9R,11S)-Herbarone.