General Information of the Compound
| Compound ID |
CP0852108
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| Compound Name |
9-(2-Hydroxy-4,4-dimethyl-6-oxocyclohexyl)-6-methoxy-3,3-dimethyl-2,3,4,9-tetrahydro-1H-xanthen-1-one
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| Structure |
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| Formula |
C24H28O5
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| Molecular Weight |
396.483
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| Canonical SMILES |
COc1ccc2c(c1)OC1=C(C(=O)CC(C)(C)C1)C2C1=C(O)CC(C)(C)CC1=O
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| InChI |
InChI=1S/C24H28O5/c1-23(2)9-15(25)21(16(26)10-23)20-14-7-6-13(28-5)8-18(14)29-19-12-24(3,4)11-17(27)22(19)20/h6-8,20,25H,9-12H2,1-5H3
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| InChIKey |
BRZZQQPCKOOFIK-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