| 2D Structure | |
| CID | 5386591 |
| Target | PTGS2 |
| IUPAC Name | (E)-1-(prop-2-enyldisulfanyl)-3-prop-2-enylsulfinylprop-1-ene |
| InChI | InChI=1S/C9H14OS3/c1-3-6-11-12-7-5-9-13(10)8-4-2/h3-5,7H,1-2,6,8-9H2/b7-5+ |
| InChI Key | IXELFRRANAOWSF-FNORWQNLSA-N |
| Canonical SMILES | C=CCSSC=CCS(=O)CC=C |
| Isomeric SMILES | C=CCSS/C=C/CS(=O)CC=C |
| Molecular Formula | C9H14OS3 |
| Molecular Weight | 234.4 |
| synonyms | ['Ajoene', '(E)-Ajoene', '92285-01-3', '92284-99-6', 'Ajoene, (E)-', 'E-Ajoene', 'NSC614554', '(E)-1-(prop-2-enyldisulfanyl)-3-prop-2-enylsulfinylprop-1-ene', 'NSC-614554', 'W36UK64JYA', 'CHEMBL122890', 'CHEBI:80708', 'Disulfide, 2-propen-1-yl (1E)-3-(2-propen-1-ylsulfinyl)-1-propen-1-yl', 'Disulfide, 2-propenyl 3-(2-propenylsulfinyl)-1-propenyl', 'Ajoene (not validated)', 'Disulfide, 2-propenyl (1E)-3-(2-propenylsulfinyl)-1-propenyl', 'Disulfide, 2-propenyl 3-(2-propenylsulfinyl)-1-propenyl, (E)-', 'E/Z Ajoene (~20per cent in Ethyl Acetate)', 'trans-Ajoene', 'CIS-4,5,9-TRITHIADODECA-1,6,11-TRIENE-9-', '2-Propen-1-yl[3-(2-propen-1-ylsulfinyl)-1-propen-1-yl] disulfide', 'Disulfide, 2-propen-1-yl [3-(2-propen-1-ylsulfinyl)-1-propen-1-yl]', 'E- Ajoene (~20% in Ethyl Acetate)', 'UNII-W36UK64JYA', 'NSC 614554', 'UNII-99A0041VG8', 'Ajoene, trans-', '2-Propen-1-yl [3-(2-propen-1-ylsulfinyl)-1-propen-1-yl]disulfide; 2-Propenyl 3-(2-propenylsulfinyl)-1-propenyl disulfide; Acuagel; Adjoen; Ajoene', '2-Propenyl-3-(2-propenylsulfinyl)-1-propenyl disulfide', 'SCHEMBL465526', 'AJOENE (E)-FORM [MI]', 'IXELFRRANAOWSF-FNORWQNLSA-N', 'DTXSID501318485', 'BDBM50240785', 'AKOS040754739', 'AKOS040755267', '99A0041VG8', 'HY-106784A', 'DA-69163', 'DA-70655', 'HY-106784', 'CS-0026551', 'CS-0173650', 'Q338762', '(E)-1-(allyldisulfanyl)-3-allylsulfinyl-prop-1-ene', '(e,z)-4,5,9-trithiadodeca-1,6,11-triene 9-oxide', '(E)-1-allyl-2-(3-(allylsulfinyl)prop-1-enyl)disulfane', '(E)-1-Allyldisulfanyl-3-(prop-2-ene-1-sulfinyl)-propene', '(E)-1-Allyl-2-(3-(allylsulfinyl)prop-1-en-1-yl)disulfane'] |
From Pubchem