General Information of the Compound
| Compound ID |
CP0033569
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| Compound Name |
4-[4-(3,4-dihydroxyphenyl)-2,3-dimethyl-butyl]pyrocatechol
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| Synonyms |
PMID26560530-Compound-24
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| Structure |
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| Formula |
C18H22O4
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| Molecular Weight |
302.37
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| Canonical SMILES |
CC(Cc1ccc(O)c(O)c1)C(C)Cc1ccc(O)c(O)c1
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| InChI |
InChI=1S/C18H22O4/c1-11(7-13-3-5-15(19)17(21)9-13)12(2)8-14-4-6-16(20)18(22)10-14/h3-6,9-12,19-22H,7-8H2,1-2H3
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| InChIKey |
HCZKYJDFEPMADG-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
Protein ID: PT00205, 5-lipoxygenase
Protein ID: PT00894, Androgen receptor
Protein ID: PT06109, Geminin
Protein ID: PT01743, Polyunsaturated fatty acid 5-lipoxygenase
Protein ID: PT02149, Transient receptor potential cation channel subfamily A member 1
Clinical Information about the Compound