General Information of the Compound
| Compound ID |
CP0003494
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| Compound Name |
US9187397, 1 (curcumin)
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| Synonyms |
PMID26560530-Compound-23
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| Structure |
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| Formula |
C21H20O6
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| Molecular Weight |
368.385
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| Canonical SMILES |
COc1cc(\C=C\C(\O)=C\C(=O)\C=C\c2ccc(O)c(OC)c2)ccc1O
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| InChI |
InChI=1S/C21H20O6/c1-26-20-11-14(5-9-18(20)24)3-7-16(22)13-17(23)8-4-15-6-10-19(25)21(12-15)27-2/h3-13,22,24-25H,1-2H3/b7-3+,8-4+,16-13-
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| InChIKey |
ZIUSSTSXXLLKKK-KOBPDPAPSA-N
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| CAS |
458-37-7
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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: PT01107, 11-beta-hydroxysteroid dehydrogenase 1
Protein ID: PT01546, ATP-dependent translocase ABCB1
Protein ID: PT00922, Epidermal growth factor receptor
Protein ID: PT02997, Isocitrate dehydrogenase [NADP] cytoplasmic
Protein ID: PT01718, Nitric oxide synthase, inducible
Protein ID: PT04367, Nuclear factor erythroid 2-related factor 2
Protein ID: PT02025, Prostaglandin E synthase
Protein ID: PT01503, Signal transducer and activator of transcription 3
Protein ID: PT01039, Tissue factor
Protein ID: PT03041, Toll-like receptor 4
Cell Viability or Cytotoxicity Assay
Clinical Information about the Compound