A1L8J
Summary
| Name: | 2-HYDROXY-3-FARNESYL-1,4-NAPHTHOQUINONE |
| Synonyms: | 2-oxidanyl-3-[(2~{E},6~{E})-3,7,11-trimethyldodeca-2,6,10-trienyl]naphthalene-1,4-dione |
| Formula: | C25 H30 O3 |
| Formal charge: | 0 |
| Formula weight: | 378.504 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | 2-oxidanyl-3-[(2~{E},6~{E})-3,7,11-trimethyldodeca-2,6,10-trienyl]naphthalene-1,4-dione |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C25H30O3/c1-17(2)9-7-10-18(3)11-8-12-19(4)15-16-22-23(26)20-13-5-6-14-21(20)24(27)25(22)28/h5-6,9,11,13-15,28H,7-8,10,12,16H2,1-4H3/b18-11+,19-15+ |
| InChIKey | InChI | 1.06 | RVUBWVZWMHPOJL-CFBAGHHKSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CC(C)=CCCC(/C)=C/CCC(/C)=C/CC1=C(O)C(=O)c2ccccc2C1=O |
| SMILES | CACTVS | 3.385 | CC(C)=CCCC(C)=CCCC(C)=CCC1=C(O)C(=O)c2ccccc2C1=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CC(=CCC/C(=C/CC/C(=C/CC1=C(C(=O)c2ccccc2C1=O)O)/C)/C)C |
| SMILES | OpenEye OEToolkits | 2.0.7 | CC(=CCCC(=CCCC(=CCC1=C(C(=O)c2ccccc2C1=O)O)C)C)C |
