2,6,10-Dodecatrien-1-ol, 3,7,11-trimethyl-9-(phenylsulfonyl)-, (E,E)-
| Internal ID | ca822024-21d7-4b28-bf72-da811267bb21 |
| Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Sesquiterpenoids |
| IUPAC Name | (2E,6E)-9-(benzenesulfonyl)-3,7,11-trimethyldodeca-2,6,10-trien-1-ol |
| SMILES (Canonical) | CC(=CC(CC(=CCCC(=CCO)C)C)S(=O)(=O)C1=CC=CC=C1)C |
| SMILES (Isomeric) | CC(=CC(C/C(=C/CC/C(=C/CO)/C)/C)S(=O)(=O)C1=CC=CC=C1)C |
| InChI | InChI=1S/C21H30O3S/c1-17(2)15-21(25(23,24)20-11-6-5-7-12-20)16-19(4)10-8-9-18(3)13-14-22/h5-7,10-13,15,21-22H,8-9,14,16H2,1-4H3/b18-13+,19-10+ |
| InChI Key | QFDXZSAOHRHYSQ-VAKGXLRMSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C21H30O3S |
| Molecular Weight | 362.50 g/mol |
| Exact Mass | 362.19156599 g/mol |
| Topological Polar Surface Area (TPSA) | 62.80 Ų |
| XlogP | 5.30 |
| QFDXZSAOHRHYSQ-VAKGXLRMSA-N |
| (2E,6E)-3,7,11-Trimethyl-9-(phenylsulfonyl)-2,6,10-dodecatrien-1-ol |
| (2E,6E)-3,7,11-Trimethyl-9-(phenylsulfonyl)-2,6,10-dodecatrien-1-ol # |
| 57683-67-7 |
| Target | Value | Probability (raw) | Probability (%) |
|---|---|---|---|
| No predicted properties yet! | |||
Proven Targets:
| CHEMBL ID | UniProt ID | Name | Min activity | Assay type | Source |
|---|---|---|---|---|---|
| No proven targets yet! | |||||
Predicted Targets (via Super-PRED):
| CHEMBL ID | UniProt ID | Name | Probability | Model accuracy |
|---|---|---|---|---|
| CHEMBL2581 | P07339 | Cathepsin D | 97.82% | 98.95% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 96.30% | 95.56% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 91.15% | 94.73% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 89.99% | 96.09% |
| CHEMBL4769 | O95749 | Geranylgeranyl pyrophosphate synthetase | 89.83% | 92.08% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 89.30% | 96.00% |
| CHEMBL2035 | P08912 | Muscarinic acetylcholine receptor M5 | 87.80% | 94.62% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 85.31% | 93.56% |
| CHEMBL3476 | O15111 | Inhibitor of nuclear factor kappa B kinase alpha subunit | 81.92% | 95.83% |
Below are displayed all the plants proven (via scientific papers) to contain this
compound!
To see more specific details click the taxa you are interested in.
To see more specific details click the taxa you are interested in.
| Artemisia argyi |
| Artemisia montana |
| Artemisia princeps |