General Information of the Compound
| Compound ID |
CP0044455
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| Compound Name |
4-[(2R,3S)-4-(3,4-dihydroxyphenyl)-2,3-dimethylbutyl]benzene-1,2-diol
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| Synonyms |
(R*,S*)-4,4'-(2,3-Dimethylbutane-1,4-diyl)bispyrocatechol
4-[(2S,3R)-4-(3,4-dihydroxyphenyl)-2,3-dimethylbutyl]benzene-1,2-diol
Actinex (TN)
Masoprocol
N 5023
NDGA
Nordihydroguaiaretic acid (meso-form)
TNP00263
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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 |
C[C@@H](Cc1ccc(O)c(O)c1)[C@H](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/t11-,12+
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| InChIKey |
HCZKYJDFEPMADG-TXEJJXNPSA-N
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| CAS |
500-38-9
27686-84-6
334707-72-1
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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
Clinical Information about the Compound