General Information of the Compound
| Compound ID |
CP0065128
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| Compound Name |
(2E,6E)-2,6-bis(4-hydroxy-3-methoxybenzylidene)cyclohexanone
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| Structure |
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| Formula |
C22H22O5
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| Molecular Weight |
366.413
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| Canonical SMILES |
COc1cc(\C=C2/CCC\C(=C/c3ccc(O)c(OC)c3)C2=O)ccc1O
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| InChI |
InChI=1S/C22H22O5/c1-26-20-12-14(6-8-18(20)23)10-16-4-3-5-17(22(16)25)11-15-7-9-19(24)21(13-15)27-2/h6-13,23-24H,3-5H2,1-2H3/b16-10+,17-11+
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| InChIKey |
DHKKONBXGAAFTB-OTYYAQKOSA-N
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| CAS |
579-23-7
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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
Protein ID: PT06109, Geminin
Protein ID: PT02997, Isocitrate dehydrogenase [NADP] cytoplasmic
Protein ID: PT01039, Tissue factor