CURCUMIN

Search structure
Synonyms:
Status: Approved
Entry Type: Small molecule
Molecule Category: UNKNOWN
UNII: IT942ZTH98

Structure
InChI Key ZIUSSTSXXLLKKK-KOBPDPAPSA-N
Smile 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 Cytochrome P450 Cytochrome P450 family 1 Cytochrome P450 family 1A Cytochrome P450 1A2
- 40000 - - -
Enzyme Cytochrome P450 Cytochrome P450 family 2 Cytochrome P450 family 2B Cytochrome P450 2B6
- 24500 - - -
Enzyme Cytochrome P450 Cytochrome P450 family 2 Cytochrome P450 family 2C Cytochrome P450 2C9
- 4300 - - -
Enzyme Cytochrome P450 Cytochrome P450 family 2 Cytochrome P450 family 2D Cytochrome P450 2D6
- 50300 - - -
Enzyme Cytochrome P450 Cytochrome P450 family 3 Cytochrome P450 family 3A Cytochrome P450 3A4
- 16300 - - -
Enzyme Hydrolase
- 30000-57500 - - -2-35
Enzyme Isomerase
- 600-1200 - - -
Enzyme Kinase Protein Kinase AGC protein kinase group AGC protein kinase PKC family AGC protein kinase PKC delta subfamily
10670 - - - -
Enzyme Kinase Protein Kinase AGC protein kinase group AGC protein kinase PKC family AGC protein kinase PKC eta subfamily
8810 - - - -
Enzyme Kinase Protein Kinase CAMK protein kinase group CAMK protein kinase CAMK2 family
- 13000-45000 - - -
Enzyme Kinase Protein Kinase TK protein kinase group Tyrosine protein kinase EGFR family
- 8600 - - -
Enzyme Lyase
- - - 10000-10300 -
Enzyme Oxidoreductase
- 500-8000 - 14960 12
Enzyme Protease Aspartic protease Aspartic protease AA clan Aspartic protease A1A subfamily
- 5300-5700 - - -
Enzyme Protease Cysteine protease Cysteine protease PAC clan Cysteine protease C3A subfamily
- 100000-100000 - - -
Enzyme Protease Metallo protease Metallo protease MAE clan Metallo protease M1 family
- 10000 - - -
Enzyme Protease Metallo protease Metallo protease MAM clan Metallo protease M10A subfamily
- 10300 - - -
Enzyme
10670 13000-45000 - 10000-10300 -2-35
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
- 25000 - - 94
Epigenetic regulator Reader Methyl-lysine/arginine binding protein PWWP domain
- - - - 80
Epigenetic regulator Writer DNA methyltransferase
- - - - 66
Epigenetic regulator Writer Histone acetyltransferase p300/CBP family
- 25000 - - 94
Ion channel Voltage-gated ion channel Potassium channels Two-pore domain potassium channel
- 930 - - -
Membrane receptor Toll-like and Il-1 receptors
- 6000 - - -
Membrane receptor
- 800-20300 - 0 24-80
Other cytosolic protein
- 8000-20900 - - -
Structural protein
- 26600 - - -
Surface antigen
- 200-200 - - -
Transcription factor Nuclear receptor Nuclear hormone receptor subfamily 1 Nuclear hormone receptor subfamily 1 group I Nuclear hormone receptor subfamily 1 group I member 1
20000 - - - -
Transcription factor
20000 19250-33900 - - 31-41
Transporter Electrochemical transporter SLC superfamily of solute carriers SLC21/SLCO family of organic anion transporting polypeptides
- - - - 115
Transporter Primary active transporter ATP-binding cassette ABCB subfamily
- 14200-40000 - - -

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Periodontitis 3 D010518 ClinicalTrials
Colonic Neoplasms 3 D003110 ClinicalTrials
Tobacco Use Disorder 3 D014029 ClinicalTrials
Renal Insufficiency, Chronic 3 D051436 ClinicalTrials
Colitis, Ulcerative 3 D003093 ClinicalTrials
Prostatic Neoplasms, Castration-Resistant 3 D064129 ClinicalTrials
Colonic Neoplasms 3 D003110 ClinicalTrials
Crohn Disease 3 D003424 ClinicalTrials
Optic Atrophy, Hereditary, Leber 3 D029242 ClinicalTrials
Stomatitis 3 D013280 ClinicalTrials
Pancreatic Neoplasms 3 D010190 ClinicalTrials
Proteinuria 3 D011507 ClinicalTrials
Colorectal Neoplasms 2 D015179 ClinicalTrials
Alzheimer Disease 2 D000544 ClinicalTrials
Bipolar Disorder 2 D001714 ClinicalTrials
Neoplasms 2 D009369 ClinicalTrials
Neoplasms 2 D009369 ClinicalTrials
Diabetes Mellitus, Type 1 2 D003922 ClinicalTrials
Multiple Myeloma 2 D009101 ClinicalTrials
Lymphoma, T-Cell, Cutaneous 2 D016410 ClinicalTrials
Multiple Sclerosis 2 D009103 ClinicalTrials
Colorectal Neoplasms 2 D015179 ClinicalTrials
Lichen Planus, Oral 2 D017676 ClinicalTrials
Gastritis, Atrophic 2 D005757 ClinicalTrials
Adenomatous Polyposis Coli 2 D011125 ClinicalTrials
Asthma 2 D001249 ClinicalTrials
Uterine Cervical Neoplasms 2 D002583 ClinicalTrials
Lupus Erythematosus, Systemic 2 D008180 ClinicalTrials
Uterine Cervical Neoplasms 2 D002583 ClinicalTrials
Breast Neoplasms 2 D001943 ClinicalTrials
Endometrial Neoplasms 2 D016889 ClinicalTrials
Radiodermatitis 2 D011855 ClinicalTrials
Rectal Neoplasms 2 D012004 ClinicalTrials
Oral Submucous Fibrosis 2 D009914 ClinicalTrials
Leukemia, Lymphocytic, Chronic, B-Cell 2 D015451 ClinicalTrials
Cognitive Dysfunction 2 D060825 ClinicalTrials
Cholangitis, Sclerosing 1 D015209 ClinicalTrials
Myelodysplastic Syndromes 1 D009190 ClinicalTrials
Mucositis 1 D052016 ClinicalTrials
Carcinoma, Non-Small-Cell Lung 1 D002289 ClinicalTrials
Uterine Cervical Dysplasia 1 D002578 ClinicalTrials
Persian Gulf Syndrome 1 D018923 ClinicalTrials
Hematoma, Subdural, Intracranial 0 D046648 ClinicalTrials
Macular Degeneration 0 D008268 ClinicalTrials
Cervical Intraepithelial Neoplasia 0 D018290 ClinicalTrials

Related Entries

Scaffolds

Cross References

Resources Reference
CAS NUMBER 458-37-7
ChEMBL CHEMBL116438
FDA SRS IT942ZTH98
Guide to Pharmacology 7000
KEGG C10443
PubChem 969516
SureChEMBL SCHEMBL242412
ZINC ZINC000100067274
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