General Information of the Compound
| Compound ID |
CP0062008
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| Compound Name |
CHEBI:3962
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| Synonyms |
(1E,6E)-1,7-Bis(4-hydroxy-3-methoxyphenyl)hepta-1,6-diene-3,5-dione
458-37-7
CI Natural Yellow 3
Curcuma
Curcuma oil
Curcumin
Curcumin I
Curcumine
Diferaloylmethane
Diferuloylmethane
Gelbwurz
Golden seal
Haidr
Halad
Haldar
Halud
Hydrastis
Indian saffron
Indian turmeric
Kacha haldi
Kurkumin [Czech]
Merita earth
Natural yellow 3
Oils, curcuma
Orange Root
Safran d'Inde
Souchet
Terra Merita
Tumeric yellow
Turmeric
Turmeric extract
Turmeric oil
Turmeric yellow
Yellow Ginger
Yellow Root
Yellow puccoon
Yo-Kin
curcumin
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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)CC(=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/h3-12,24-25H,13H2,1-2H3/b7-3+,8-4+
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| InChIKey |
VFLDPWHFBUODDF-FCXRPNKRSA-N
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| CAS |
15845-47-3
8024-37-1
33171-04-9
73729-23-4
79257-48-0
91884-86-5
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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: PT02510, Histone acetyltransferase p300
Protein ID: PT02997, Isocitrate dehydrogenase [NADP] cytoplasmic
Protein ID: PT04367, Nuclear factor erythroid 2-related factor 2
Protein ID: PT02025, Prostaglandin E synthase
Protein ID: PT02255, Proto-oncogene tyrosine-protein kinase Src
Protein ID: PT01039, Tissue factor
Clinical Information about the Compound
Drug 1 ( Curcumin )
| Drug Name | Curcumin | ||
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