CURCUMIN

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Synonyms
Status
Molecule Category Free-form
UNII IT942ZTH98

Structure

InChI Key ZIUSSTSXXLLKKK-KOBPDPAPSA-N
Smiles COc1cc(/C=C/C(=O)/C=C(O)/C=C/c2ccc(O)c(OC)c2)ccc1O
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-

Physicochemical Descriptors

Property Name Value
Molecular Formula C21H20O6
Molecular Weight 368.39
AlogP 3.85
Hydrogen Bond Acceptor 6.0
Hydrogen Bond Donor 3.0
Number of Rotational Bond 7.0
Polar Surface Area 96.22
Molecular species NEUTRAL
Aromatic Rings 2.0
Heavy Atoms 27.0

Pharmacology

Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Enzyme Hydrolase
- - - - -2.21-34.5
Enzyme Isomerase
- 600 - - -
Enzyme Lyase
- - - 380 -
Enzyme Oxidoreductase
- 500-600 - - 12-80.5
Enzyme
- 500-600 - 380 12-80.5
Epigenetic regulator Eraser Histone deacetylase HDAC class I
- - - 539 -
Epigenetic regulator Eraser Histone deacetylase HDAC class IIa
- - - 539 -
Epigenetic regulator Eraser Histone deacetylase HDAC class IIb
- - - 539 -
Epigenetic regulator Eraser Histone deacetylase HDAC class IV
- - - 539 -
Epigenetic regulator Reader Bromodomain
- - - - 93.45
Epigenetic regulator Reader Methyl-lysine/arginine binding protein PWWP domain
- - - - 80
Epigenetic regulator Writer DNA methyltransferase
- - - - 66-80
Epigenetic regulator Writer Histone acetyltransferase p300/CBP family
- - - - 93.45
Ion channel Voltage-gated ion channel Potassium channels Two-pore domain potassium channel
- 930 - - -
Membrane receptor
- 199.63-800 - 0.208 24-80
Surface antigen
- 199.63-199.63 - - -
Transcription factor
- 6.9 - - 30.66-41
Transporter Electrochemical transporter SLC superfamily of solute carriers SLC21/SLCO family of organic anion transporting polypeptides
- - - - 82.72-115.19
EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Bos taurus
- 930 - - 31.9-99
Chlorocebus sabaeus
- - - - 10-20
Cricetulus griseus
- - - - 82.72-115.19
Electrophorus electricus
- - - - -2.21-34.5
Equus caballus
- - - - 2.41
Glycine max
- - - - 38-68.28
Homo sapiens
- 6.9-880 - 0.208-539 1.5-102.5
Human herpesvirus 1 strain KOS
10 - - - -
Human herpesvirus 2 strain G
10 - - - -
Human herpesvirus 4
- 10.2 - - 0-100
Human immunodeficiency virus 1
- 37 - - -
Human immunodeficiency virus type 2 (ISOLATE ROD)
- 37 - - -
Mus musculus
- 500-800 - - 1.25-99.3
Ovis aries
- - - - 35-80.5
Plasmodium falciparum
- - - - 95
Rattus norvegicus
- - - - -44.3-127
SARS coronavirus
- - - - 25-50
Spiroplasma monobiae
- 30 - - -
Vaccinia virus
10 - - - -
Vesicular stomatitis virus
10 - - - -

Related Entries

Cross References

Resources Reference
ChEMBL CHEMBL116438
FDA SRS IT942ZTH98
Guide to Pharmacology 7000
KEGG C10443
PubChem 969516
SureChEMBL SCHEMBL242412
ZINC ZINC000100067274
CONTENTS