Drug Information
| General Information | ||||||
|---|---|---|---|---|---|---|
| Drug ID |
DR00559
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| Drug Name |
Curcumin
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| Synonyms |
(1E,6E)-1,7-Bis(4-hydroxy-3-methoxyphenyl)hepta-1,6-diene-3,5-dione; CI Natural Yellow 3; Curcuma; Curcuma oil; 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
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| Drug Type |
Small molecular drug
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| Indication | Cancer [ICD11:2A00-2F9Z] | Phase 2 | [1] | |||
| Structure |
|
 |
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| 3D MOL | 2D MOL | |||||
| Formula |
C21H20O6
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| Canonical SMILES |
COC1=C(C=CC(=C1)C=CC(=O)CC(=O)C=CC2=CC(=C(C=C2)O)OC)O
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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 Number |
CAS 458-37-7
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| Pharmaceutical Properties | Molecular Weight | 368.4 | Topological Polar Surface Area | 93.1 | ||
| Heavy Atom Count | 27 | Rotatable Bond Count | 8 | |||
| Hydrogen Bond Donor Count | 2 | Hydrogen Bond Acceptor Count | 6 | |||
| XLogP |
3.2
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| PubChem CID | ||||||
| PubChem SID |
10319004
,103961572
,104171337
,105852703
,12013839
,12055808
,14803853
,17389087
,24892408
,24892983
,29203996
,3139269
,44256039
,46493764
,48184781
,48414613
,48414614
,48423182
,48424998
,49854349
,49856278
,50104137
,50104138
,521754
,53788771
,56312449
,56313017
,56422380
,57288615
,57408903
,616319
,75735540
,7979963
,806710
,81040856
,81054961
,81093229
,8136975
,8145866
,85286188
,855880
,85789755
,8719722
,87565556
,87565557
,88806667
,91276
,92126156
,92709887
,93165931
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| ChEBI ID |
CHEBI:2952
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| TTD Drug ID | ||||||
| DT(s) Transporting This Drug | P-GP | Transporter Info | P-glycoprotein 1 | Substrate | [2] | |
| References | ||||||
| 1 | ClinicalTrials.gov (NCT02944578) Topical Curcumin for Precancer Cervical Lesions | |||||
| 2 | Mammalian drug efflux transporters of the ATP binding cassette (ABC) family in multidrug resistance: A review of the past decade. Cancer Lett. 2016 Jan 1;370(1):153-64. | |||||
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