| 2D Structure | |
| CID | 638015 |
| Target | ALDH1A1 , Chain A, Cellular retinoic acid , CXCL8 , ESR1 , KCNH2 , NFE2L2 , OPN1LW |
| IUPAC Name | (2E,4E,6E,8E)-3,7-dimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,6,8-tetraenal |
| InChI | InChI=1S/C20H28O/c1-16(8-6-9-17(2)13-15-21)11-12-19-18(3)10-7-14-20(19,4)5/h6,8-9,11-13,15H,7,10,14H2,1-5H3/b9-6+,12-11+,16-8+,17-13+ |
| InChI Key | NCYCYZXNIZJOKI-OVSJKPMPSA-N |
| Canonical SMILES | CC1=C(C(CCC1)(C)C)C=CC(=CC=CC(=CC=O)C)C |
| Isomeric SMILES | CC1=C(C(CCC1)(C)C)/C=C/C(=C/C=C/C(=C/C=O)/C)/C |
| Molecular Formula | C20H28O |
| Molecular Weight | 284.4 |
| synonyms | ['all-trans-Retinal', 'retinal', '116-31-4', 'trans-Retinal', 'retinaldehyde', 'vitamin A aldehyde', 'retinene', 'axerophthal', 'all-E-Retinal', 'all trans-Retinal', 'E-Retinal', 'Retinene 1', 'all-trans-Vitamin A aldehyde', 'all-trans-Retinaldehyde', 'Vitamin A1 aldehyde', 'all-trans retinal', 'all-trans-Retinene', 'Retinal, all-trans-', 'Retinyl aldehyde', 'Retinal, all-trans', 'Retinaldehyde (VAN)', 'TOCOPHEROL, ALPHA', 'trans-Vitamin A aldehyde', '(2E,4E,6E,8E)-3,7-dimethyl-9-(2,6,6-trimethylcyclohex-1-en-1-yl)nona-2,4,6,8-tetraenal', 'retinaldehyd', '(2E,4E,6E,8E)-3,7-dimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,6,8-tetraenal', 'CHEBI:17898', 'EINECS 204-135-8', 'NSC 122757', 'NSC 626581', 'BRN 1914183', 'DTXSID5025998', 'RR725D715M', 'RETINAL [MI]', 'NSC626581', 'NSC-122757', 'NSC-626581', 'RETINAL TRANS-ISOMER', 'RETINALDEHYD [WHO-DD]', 'RETINALDEHYDE [MART.]', 'DTXCID205998', '4-07-00-01253 (Beilstein Handbook Reference)', 'NSC122757', '3,7-dimethyl-9-(2,6,6-trimethyl-1-cyclohexen-1-yl)-2,4,6,8-Nonatetraenal', 'RETINALDEHYDE (MART.)', '3,7-dimethyl-9-(2,6,6-trimethyl-1-cyclohexenyl)nona-2,4,6,8-tetraenal', 'Retinyl Aldehydde', 'Aldehydde, Retinyl', 'Aldehyde, Vitamin A', 'CHEBI:15035', 'RETINAL [INCI]', '3,7-dimethyl-9-(2,6,6-trimethylcyclohex-1-en-1-yl)nona-2,4,6,8-tetraenal', '204-135-8', 'inchi=1/c20h28o/c1-16(8-6-9-17(2)13-15-21)11-12-19-18(3)10-7-14-20(19,4)5/h6,8-9,11-13,15h,7,10,14h2,1-5h3/b9-6+,12-11+,16-8+,17-13', 'MFCD00001550', 'retinylaldehyde', 'Retinin', 'epsilon-Retinal', 'UNII-RR725D715M', 'Retinene1', 'retinal all-trans', 'tocopherol alpha-', 'all-trans Retinal-14,15-13C2', 'all-epsilon-Retinal', 'RETINOL_met011', 'CHEMBL81379', 'SCHEMBL106993', 'GTPL2350', 'SCHEMBL22261821', '2g79', 'BCP14368', 'NSC20811', 'trans-Retinal (Vitamin A aldehyde)', 'Tox21_201005', 'all trans-Retinal, powder, >=98%', 'BDBM50553255', 'LMPR01090002', 'NSC-20811', 'NSC122756', 's6132', 'AKOS024463375', 'CS-W004500', 'DS-8008', 'FR31755', 'HY-W004500', 'NCGC00090821-02', 'NCGC00090821-03', 'NCGC00090821-04', 'NCGC00090821-05', 'NCGC00090821-06', 'NCGC00090821-07', 'NCGC00258558-01', 'CAS-116-31-4', 'LS-14807', 'Retinaldehyde;Vitamin A aldehyde;Retinene', 'NS00015353', 'C00376', 'F20593', 'M02447', 'EN300-6493898', 'BRD-K79884267-001-01-4', 'Q28529715', 'Z2315585275', '2,4,6,8-Nonatetraenal, 3,7-dimethyl-9-(2,6,6-trimethyl-1-cyclohexen-1-yl)-, (all-E)-', '2,6,8-Nonatetraenal, 3,7-dimethyl-9-(2,6,6-trimethyl-1- cyclohexen-1-yl)-, (all-E)-', '2,6,8-Nonatetraenal, 3,7-dimethyl-9-(2,6,6-trimethyl-1-cyclohexen-1-yl)-, (all-E)-'] |
From Pubchem