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Agastaquinone
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NAMES
  • Agastaquinone
SMILES
COC1=C(C(C)C)C(=O)c2c(O)cc3c(c2C1=O)C=CC(=O)C3(C)C
InChI
InChI=1S/C20H20O5/c1-9(2)14-17(23)16-12(21)8-11-10(6-7-13(22)20(11,3)4)15(16)18(24)19(14)25-5/h6-9,21H,1-5H3
MOLECULAR FORMULA
C20H20O5
CROSS REFERENCES
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Agastaquinone

Compound Synopsis

OVERVIEW
PROPERTIES
Molecular weight 340.13
AlogP 3.20
HBond donors 1
HBond acceptors 5
Atoms 45
Contains toxicophore No
Contains PAINS Yes
Commercially available Unknown
Property color indications are based on Lipinski's Ro5.
PROTEIN TARGETS
No information about proteins targeted by Agastaquinone.