General Information of the Compound
| Compound ID |
CP0915022
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| Compound Name |
9-(2-Hydroxy-4-methyl-6-oxocyclohexyl)-3-methyl-2,3,4,9-tetrahydro-1H-xanthen-1-one
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| Structure |
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| Formula |
C21H22O4
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| Molecular Weight |
338.403
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| Canonical SMILES |
CC1CC(=O)C(C2C3=C(CC(C)CC3=O)Oc3ccccc32)=C(O)C1
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| InChI |
InChI=1S/C21H22O4/c1-11-7-14(22)20(15(23)8-11)19-13-5-3-4-6-17(13)25-18-10-12(2)9-16(24)21(18)19/h3-6,11-12,19,22H,7-10H2,1-2H3
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| InChIKey |
GQTMLZPUUQYDFV-UHFFFAOYSA-N
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| Physicochemical Property |
"RO5" indicates the cutoff set by lipinski's rule of five: (1) Molecular weight less than 500 Dalton; (2) xlogp less than 5; (3) No more than 5 hbonddonor (Hydrogen Bond Donor Count); (4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count); (5) No more than 10 rotbonds (Rotatable Bond Count). Show/Hide
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Map of Molecular Bioactivity Related to the Compound
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Map of Molecular Bioactivity Related to the Compound Compound Cell Line Protein Bioactivity Value: <= 0.1 μM > 0.1 μM and <= 10 μM > 10 μM Imprecise Activity |
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Table of Molecular Bioactivities Related to the Compound