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HIT103689844
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HIT103689844
  • HIT ID:HIT103689844
  • Cas No:316134-38-0
  • Common Name:AtPCO4-IN-1
  • IUPAC:2-[(4-hydroxy-3-methoxyphenyl)(2-hydroxy-4,4-dimethyl-6-oxocyclohex-1-en-1-yl)methyl]-5,5-dimethylcyclohexane-1,3-dione
    IUPAC:2-[(4-hydroxy-3-methoxyphenyl)(2-hydroxy-4,4-dimethyl-6-oxocyclohex-1-en-1-yl)methyl]-5,5-dimethylcyclohexane-1,3-dione
  • InChIKey:LOUBSQZNMGONGE-UHFFFAOYSA-N
  • Molecular Formula:C24H30O6
  • Molecular Weight:414.498
  • Hydrogen Bond Donor (HBD):2
  • Hydrogen Bond Acceptor (HBA):4
  • LogP:2.1263
  • SMILES:COc1cc(ccc1O)C(C1C(=O)CC(C)(C)CC1=O)C1=C(O)CC(C)(C)CC1=O |c:22|
    SMILES:COc1cc(ccc1O)C(C1C(=O)CC(C)(C)CC1=O)C1=C(O)CC(C)(C)CC1=O |c:22|
  • AtPCO4-IN-1 is a selective AtPCO4 inhibitor with an IC50 value of 264.4 μM [1].
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