| 2D Structure | |
| CID | 5281243 |
| Target | NR3C1 , RXRA , Thrb , TP53 |
| IUPAC Name | (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-ol |
| InChI | 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 |
| InChI Key | KBPHJBAIARWVSC-RGZFRNHPSA-N |
| Canonical SMILES | CC1=C(C(CC(C1)O)(C)C)C=CC(=CC=CC(=CC=CC=C(C)C=CC=C(C)C=CC2C(=CC(CC2(C)C)O)C)C)C |
| Isomeric SMILES | CC1=C(C(C[C@@H](C1)O)(C)C)/C=C/C(=C/C=C/C(=C/C=C/C=C(\C)/C=C/C=C(\C)/C=C/[C@H]2C(=C[C@@H](CC2(C)C)O)C)/C)/C |
| Molecular Formula | C40H56O2 |
| Molecular Weight | 568.9 |
| synonyms | ['Lutein', 'Bo-Xan', 'Vegetable lutein', 'all-trans-Lutein', 'Vegetable luteol', 'trans-Lutein', 'Lutein ester', 'Xantofyl', 'all-trans-(+)-Xanthophyll', 'FloraGLO', 'FloraGLO Lutein', 'Lutein, all-trans-', 'all-trans-Xanthophyll', 'Lutamax', 'E 161b', 'Oro Glo 7', 'Xanthophyll, all-trans-(+)-', 'Leutein', 'Lutein from tagetes erecta', 'OS 24', 'UNII-X72A60C9MT', 'INS NO.161B(I)', 'X72A60C9MT', 'DTXSID8046749', 'CHEBI:28838', 'INS-161B(I)', 'E 161', 'EINECS 204-840-0', 'E-161B', 'E-161B(I)', 'NSC 59193', 'NSC-59193', 'DTXCID6026749', "(3R,3'R,6'R)-beta,epsilon-carotene-3,3'-diol", 'LUTEIN (USP-RS)', 'LUTEIN [USP-RS]', 'LUTEIN (MART.)', 'LUTEIN [MART.]', 'NSC59193', 'gamma Lutein', 'Lutein, gamma', "(3R,3'R,6R)-4,5-didehydro-5,6-dihydro-beta,beta-carotene-3,3'-diol", '(1R,4R)-4-((1E,3E,5E,7E,9E,11E,13E,15E,17E)-18-((4R)-4-HYDROXY-2,6,6-TRIMETHYL-1-CYCLOHEXEN-1-YL)-3,7,12,16-TETRAMETHYL-1,3,5,7,9,11,13,15,17-OCTADECANONAEN-1-YL)-3,5,5-TRIMETHYL-2-CYCLOHEXEN-1-OL', 'Leutin', 'Noon for Kids', "(3R,3'R,6S)-4,5-DIDEHYDRO-5,6-DIHYDRO-BETA,BETA-CAROTENE-3,3'-DIOL", "(3R,3'R,6R)-4,5-DIDEHYDRO-5,6-DIHYDRO-beta,beta-CAROTIN-3,3'-DIOL", "beta,beta-CAROTENE-3,3'-DIOL, 4,5-DIDEHYDRO-5,6-DIHYDRO-, (3R,3'R,6R)-", '204-840-0', '4-(18-(4-hydroxy-2,6,6-trimethyl-1-cyclohex-2-enyl)-3,7,12,16-tetramethyl-octadeca-1,3,5,7,9,11,13,15,17-nonaenyl)-3,5,5-trimethyl-cyclohex-3-en-1-ol', 'XANTHOPHYLL', '127-40-2', 'Lutein A', "beta,epsilon-Carotene-3,3'-diol, (3R,3'R,6'R)-", "(3R,3'R,6'R)-Lutein", "beta,epsilon-Carotene-3,3'-diol", 'Xanthophyll (~80%)', '(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-ol', ".beta.,.epsilon.-Carotene-3,3'-diol", ".beta.,.epsilon.-Carotene-3,3'-diol, (3R,3'R,6'R)-", 'A1LXP', '(1R,4R)-4-((1E,3E,5E,7E,9E,11E,13E,15E,17E)-18-((R)-4-hydroxy-2,6,6-trimethylcyclohex-1-en-1-yl)-3,7,12,16-tetramethyloctadeca-1,3,5,7,9,11,13,15,17-nonaen-1-yl)-3,5,5-trimethylcyclohex-2-enol', '180580-60-3', 'Lutein; Xantofyl', 'NCGC00167965-01', 'Lutein (Standard)', '()-Lutein', 'MFCD08435941', 'Lutein (Xanthophyll)', 'Lutein - 5%', 'Lutein, 88%', 'Xanthophyll, tech grade', 'LEUTEIN [VANDF]', 'LUTEIN [VANDF]', "e-carotene-3,3'-diol", 'Lutein - 20%', 'Lutein - 50%', 'Lutein - 95%', 'LUTEIN [DSC]', 'LUTEIN [FCC]', 'XANTHOPHYLL [MI]', 'Xanthophyll, from marigold', 'XANTOFYL [WHO-DD]', 'Lutein, analytical standard', 'SCHEMBL19342', "3,3'-Dihydroxy-alpha-carotene", 'CHEMBL173929', '(invertedexclamationmarkA)-Lutein', 'BCBcMAP01_000190', 'GTPL13099', 'HY-N6947R', 'MSK1576', 'HMS3886I13', 'HY-N6947', "(3R,3'R)-dihydroxy-alpha-carotene", 'Tox21_112594', '( inverted exclamation markA)-Lutein', 'BBL101804', 'LMPR01070274', 's5103', 'STL555601', 'AKOS008901394', 'CCG-270087', 'DB00137', 'FX28735', 'SMP1_000317', 'AS-63011', 'CAS-127-40-2', 'FL138925', 'FX160846', 'XL176941', 'XL176948', 'CS-0015250', 'NS00019507', 'C08601', 'BRD-K16742848-001-01-8', 'BRD-K16742848-001-02-6', 'Q63409232', "4',5'-Didehydro-6'-hydro-.beta.-carotene-3,3'-diol #", 'AB972DAC-E626-49F1-898D-598AF7729FD0', 'Lutein, Pharmaceutical Secondary Standard; Certified Reference Material', "(3R,3'R,6'R)-?,?-Carotene-3,3'-diol;?-Carotene-3,3'-diol;Xanthophyll;Lutein A", "(3R,3'R,6R)-4,5-DIDEHYDRO-5,6-DIHYDRO-.BETA.,.BETA.-CAROTENE-3,3'-DIOL", "(3R,3'R,6R)-4,5-DIDEHYDRO-5,6-DIHYDRO-.BETA.,.BETA.-CAROTIN-3,3'-DIOL", ".BETA.,.BETA.-CAROTENE-3,3'-DIOL, 4,5-DIDEHYDRO-5,6-DIHYDRO-, (3R,3'R,6R)-"] |
From Pubchem