| Compound | 4-nerolidylcatechol |
| NPACT-Id | NPACT00725 |
| IUPAC | 4-[(6E)-3,7,11-trimethyldodeca-1,6,10-trien-3-yl]benzene-1,2-diol |
| Synonyms | 4-(1-VINYL-1,5,9-TRIMETHYL-4,8-DECADIENYL)CATECHOL;1,2-Benzenediol, 4-(1-ethenyl-1,5,9-trimethyl-4,8-decadienyl)-;4-[(6E)-3,7,11-trimethyldodeca-1,6,10-trien-3-yl]benzene-1,2-diol |
| PubChem Id | 5352089 |
| Class | Organic chemical |
| In-vitro anticancer activity | 3 cancer cell lines |
| In-Vivo anticancer activity | No |
| Targets | No targets found |
| Properties | Physical Elemental Topological |
| InChi Key | ZBZZDHDWRSFLAY-GZTJUZNOSA-N |
| InChi | 1S/C21H30O2/c1-6-21(5,18-12-13-19(22)20(23)15-18)14-8-11-17(4)10-7-9-16(2)3/h6,9,11-13,15,22-23H,1,7-8,10,14H2,2-5H3/b17-11+ |
| SMILES | Oc1cc(C(CC/C=C(/CCC=C(C)C)C)(C)C=C)ccc1O |
|
SMART | [#6]C([#6])=CCCC([#6])=CCCC([#6])(C=C)C1=CC(O)=C(O)C=C1 |
| CAS No. | 74683-11-7 |
|
Structure
Download | 
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| Cross Refrence in other databases |
| Super Natural | - |
| CTD | C110583 |
| HIT | - |
| NCI-60 GI50 data | - |
| Suppliers | NA, |
| Drug-Likeliness Filters | Lipinski's rule of five | No |
| Ghose filter | No |
| Veber filter | Yes |
| Muegge Filter | No |
| Similarity Search | Human metabolite database | FDA approved drugs |