| Compound | Lutein |
| NPACT-Id | NPACT00728 |
| IUPAC | (1R)-4-[(1E,3E,5E,7E,9E,11E,13E,15E,17E)-18-[(1R,4R)-4-hydroxy-2,6,6-trimethylcyclohex-2-en-1-yl]-3,7,12,16-tetramethyloctadeca-1,3,5,7,9,11,13,15,17-nonaenyl]-3,5,5-trimethylcyclohex-3-en-1-o |
| Synonyms | Bo-Xan;XANTHOPHYLL |
| PubChem Id | 5281243 |
| Class | Terpenoids |
| In-vitro anticancer activity | 1 cancer cell lines |
| In-Vivo anticancer activity | No |
| Targets | No targets found |
| Properties | Physical Elemental Topological |
| InChi Key | KBPHJBAIARWVSC-RGZFRNHPSA-N |
| InChi | 1S/C40H56O2/c1-29(17-13-19-31(3)21-23-37-33(5)25-35(41)27-39(37,7)8)15-11-12-16-30(2)18-14-20-32(4)22-24-38-34(6)26-36(42)28-40(38,9)10/h11-25,35-37,41-42H,26-28H2,1-10H3/b12-11+,17-13+,18-14+,23-21+,24-22+,29-15+,30-16+,31-19+,32-20+/t35-,36+,37-/m0/s1 |
| SMILES | O[C@@H]1CC([C@H](C(=C1)C)/C=C/C(=C/C=C/C(=CC=CC=C(C=CC=C(C=CC1=C(C[C@@H](O)CC1(C)C)C)/C)/C)/C)/C)(C)C |
|
SMART | [H]O[C@@]1([H])C([H])=C(C([H])([H])[H])[C@]([H])(C([H])=C(/[H])C(=C(/[H])C([H])=C(/[H])C(=C(/[H])C([H])=C(/[H])C([H])=C(C([H])=C(/[H])C([H])=C(C([H])=C(/[H])C2=C(C([H])([H])[H])C([H])([H])[C@@]([H])(O[H])C([H])([H])[C@]2(C([H])([H])[H])C([H])([H])[H])/C([H])([H])[H])/C([H])([H])[H])C([H])([H])[H])C([H])([H])[H])[C@@](C([H])([H])[H])(C([H])([H])[H])C1([H])[H] |
| CAS No. | 127-40-2 |
|
Structure
Download | 
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| Cross Refrence in other databases |
| Super Natural | - |
| CTD | D014975 |
| HIT | C0432 |
| NCI-60 GI50 data | 127-40-2 |
| Suppliers | ABI Chem, R&D Chemicals, |
| Drug-Likeliness Filters | Lipinski's rule of five | No |
| Ghose filter | No |
| Veber filter | Yes |
| Muegge Filter | No |
| Similarity Search | Human metabolite database | FDA approved drugs |