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Grandiflorenic Acid Methyl Ester
FEATURES
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NAMES
  • Grandiflorenic Acid Methyl Ester
SMILES
C=C1C[C@@]23CC[C@@H]4[C@](C)(C(=O)OC)CCC[C@@]4(C)C2=CC[C@@H]1C3
InChI
InChI=1S/C21H30O2/c1-14-12-21-11-8-16-19(2,17(21)7-6-15(14)13-21)9-5-10-20(16,3)18(22)23-4/h7,15-16H,1,5-6,8-13H2,2-4H3/t15-,16+,19-,20-,21-/m1/s1
MOLECULAR FORMULA
C21H30O2
CROSS REFERENCES
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Grandiflorenic Acid Methyl Ester

Compound Synopsis

OVERVIEW
PROPERTIES
Molecular weight 314.22
AlogP 5.05
HBond donors 0
HBond acceptors 2
Atoms 53
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 Grandiflorenic Acid Methyl Ester.