0NI
Summary
| Name: | Aurachin D |
| Synonyms: | 2-methyl-3-[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienyl]-1H-quinolin-4-one |
| Formula: | C25 H33 N O |
| Formal charge: | 0 |
| Formula weight: | 363.536 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | 2-methyl-3-[(6~{E})-3,7,11-trimethyldodeca-2,6,10-trienyl]-1~{H}-quinolin-4-one |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C25H33NO/c1-18(2)10-8-11-19(3)12-9-13-20(4)16-17-22-21(5)26-24-15-7-6-14-23(24)25(22)27/h6-7,10,12,14-16H,8-9,11,13,17H2,1-5H3,(H,26,27)/b19-12+,20-16- |
| InChIKey | InChI | 1.03 | JHMLNOXMSHURLQ-LULTWYLNSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CC(C)=CCCC(/C)=C/CCC(/C)=C\CC1=C(C)Nc2ccccc2C1=O |
| SMILES | CACTVS | 3.385 | CC(C)=CCCC(C)=CCCC(C)=CCC1=C(C)Nc2ccccc2C1=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CC1=C(C(=O)c2ccccc2N1)CC=C(C)CC/C=C(\C)/CCC=C(C)C |
| SMILES | OpenEye OEToolkits | 2.0.7 | CC1=C(C(=O)c2ccccc2N1)CC=C(C)CCC=C(C)CCC=C(C)C |
