| Compound | Curcumin |
| NPACT-Id | NPACT00463 |
| IUPAC | (2R,6aS)-2,5-dimethyl-10-methylidene-7-prop-1-en-2-yl-3,6a,7,8,9,10a-hexahydro-2H-benzo[h]azulene-1,4-dione |
| Synonyms | Diferuloylmethane; Turmeric yellow; Kacha haldi; Gelbwurz; Turmeric; Curcuma; Haldar; Souchet; Haidr; Halad; Halud; Indian saffron; Merita earth; Yellow Ginger; Terra Merita; Yellow Root; Curcumin I; Yo-Kin; Hydrastis; Indian turmeric; Tumeric yellow; Yellow puccoon; Golden seal; Diferaloylmethane; Orange Root; kachs haldi; safra d'inde |
| PubChem Id | 969516 |
| Class | Flavonoid |
| In-vitro anticancer activity | 5 cancer cell lines |
| In-Vivo anticancer activity | Yes |
| Targets | AR | BCL2 | BCL2L1 | CASP3 | CASP8 | COX-2 | DUSP10 | JUN | MMP14 | MMP2 | NFKB1 | NFKBIA | PARP1 | PTK2 | All | |
| Properties | Physical Elemental Topological |
| InChi Key | VFLDPWHFBUODDF-FCXRPNKRSA-N |
| 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+ |
| SMILES | O(c1cc(ccc1O)/C=C/C(=O)CC(=O)/C=C/c1cc(OC)c(O)cc1)C |
|
SMART | [H]OC1=C(OC([H])([H])[H])C([H])=C(C([H])=C(/[H])C(=O)C([H])([H])C(=O)C([H])=C(/[H])C2=C([H])C(OC([H])([H])[H])=C(O[H])C([H])=C2[H])C([H])=C1[H] |
| CAS No. | 458-37-7 |
|
Structure
Download | 
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| Cross Refrence in other databases |
| Super Natural | 000458377 |
| CTD | D003474 |
| HIT | C0431 |
| NCI-60 GI50 data | 458-37-7 |
| Suppliers | ABI Chem, AKos Consulting & Solutions, Ambinter, ChemExper Chemical Directory, ChemMol, Hangzhou APIChem Technology, IS Chemical
Technology, MolPort, R&D Chemicals, Sigma-Aldrich, TCI (Tokyo Chemical Industry), TimTec, ZINC, |
| Drug-Likeliness Filters | Lipinski's rule of five | Yes |
| Ghose filter | Yes |
| Veber filter | Yes |
| Muegge Filter | Yes |
| Similarity Search | Human metabolite database | FDA approved drugs |