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Neopetrosiquinone B
FEATURES
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NAMES
  • Neopetrosiquinone B
SMILES
C[C@]1(CO)CCC[C@@H]2c3cc4c(cc3C=C[C@H]21)C(=O)C=CC4=O
InChI
InChI=1S/C20H20O3/c1-20(11-21)8-2-3-13-14-10-16-15(18(22)6-7-19(16)23)9-12(14)4-5-17(13)20/h4-7,9-10,13,17,21H,2-3,8,11H2,1H3/t13-,17-,20-/m1/s1
MOLECULAR FORMULA
C20H20O3
CROSS REFERENCES
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Neopetrosiquinone B

Compound Synopsis

OVERVIEW
PROPERTIES
Molecular weight 308.14
AlogP 3.53
HBond donors 1
HBond acceptors 3
Atoms 43
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 Neopetrosiquinone B.