General Information of the Compound
| Compound ID |
CP0327845
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| Compound Name |
1-[6-[1-(8-acetyl-5,7-dihydroxy-2,2-dimethylchromen-6-yl)-3-methylbutyl]-5,7-dihydroxy-2,2-dimethylchromen-8-yl]ethanone
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| Structure |
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| Formula |
C31H36O8
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| Molecular Weight |
536.621
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| Canonical SMILES |
CC(C)CC(c1c(O)c2C=CC(C)(C)Oc2c(C(C)=O)c1O)c1c(O)c2C=CC(C)(C)Oc2c(C(C)=O)c1O
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| InChI |
InChI=1S/C31H36O8/c1-14(2)13-19(22-24(34)17-9-11-30(5,6)38-28(17)20(15(3)32)26(22)36)23-25(35)18-10-12-31(7,8)39-29(18)21(16(4)33)27(23)37/h9-12,14,19,34-37H,13H2,1-8H3
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| InChIKey |
MAOJOOVKZCEFJE-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