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Aspergilone A
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NAMES
  • Aspergilone A
SMILES
CC1=C2C(=CO[C@@H](C)[C@@H]2C)C(=O)C(Cc2ccccc2)(Cc2ccccc2)C1=O
InChI
InChI=1S/C26H26O3/c1-17-19(3)29-16-22-23(17)18(2)24(27)26(25(22)28,14-20-10-6-4-7-11-20)15-21-12-8-5-9-13-21/h4-13,16-17,19H,14-15H2,1-3H3/t17-,19-/m0/s1
MOLECULAR FORMULA
C26H26O3
CROSS REFERENCES
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Aspergilone A

Compound Synopsis

OVERVIEW
PROPERTIES
Molecular weight 386.19
AlogP 4.87
HBond donors 0
HBond acceptors 3
Atoms 55
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 Aspergilone A.