2-[9-(Hydroxymethyl)-4,8,11-trimethyldodeca-3,7,10-trienyl]-2,8-dimethyl-3,4-dihydrochromen-6-ol
| Internal ID | 48bbf726-940a-4990-b48a-0339883603c6 |
| Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Sesquiterpenoids |
| IUPAC Name | 2-[9-(hydroxymethyl)-4,8,11-trimethyldodeca-3,7,10-trienyl]-2,8-dimethyl-3,4-dihydrochromen-6-ol |
| SMILES (Canonical) | CC1=CC(=CC2=C1OC(CC2)(C)CCC=C(C)CCC=C(C)C(CO)C=C(C)C)O |
| SMILES (Isomeric) | CC1=CC(=CC2=C1OC(CC2)(C)CCC=C(C)CCC=C(C)C(CO)C=C(C)C)O |
| InChI | InChI=1S/C27H40O3/c1-19(2)15-24(18-28)21(4)11-7-9-20(3)10-8-13-27(6)14-12-23-17-25(29)16-22(5)26(23)30-27/h10-11,15-17,24,28-29H,7-9,12-14,18H2,1-6H3 |
| InChI Key | QTEJGXGKZMMAET-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C27H40O3 |
| Molecular Weight | 412.60 g/mol |
| Exact Mass | 412.29774513 g/mol |
| Topological Polar Surface Area (TPSA) | 49.70 Ų |
| XlogP | 7.40 |
| There are no found synonyms. |
![2D Structure of 2-[9-(Hydroxymethyl)-4,8,11-trimethyldodeca-3,7,10-trienyl]-2,8-dimethyl-3,4-dihydrochromen-6-ol](https://plantaedb.com/storage/docs/compounds/2023/11/2-9-hydroxymethyl-4811-trimethyldodeca-3710-trienyl-28-dimethyl-34-dihydrochromen-6-ol.jpg "2D Structure of 2-[9-(Hydroxymethyl)-4,8,11-trimethyldodeca-3,7,10-trienyl]-2,8-dimethyl-3,4-dihydrochromen-6-ol")
| 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 |
|---|---|---|---|---|
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 98.98% | 91.11% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 96.32% | 94.73% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 94.41% | 94.45% |
| CHEMBL2581 | P07339 | Cathepsin D | 90.96% | 98.95% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 89.51% | 96.09% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 87.77% | 95.56% |
| CHEMBL2107 | P61073 | C-X-C chemokine receptor type 4 | 87.15% | 93.10% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 87.10% | 86.33% |
| CHEMBL233 | P35372 | Mu opioid receptor | 87.01% | 97.93% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 84.05% | 89.00% |
| CHEMBL1937 | Q92769 | Histone deacetylase 2 | 83.40% | 94.75% |
| CHEMBL4581 | P52732 | Kinesin-like protein 1 | 82.07% | 93.18% |
| CHEMBL5555 | O00767 | Acyl-CoA desaturase | 82.06% | 97.50% |
| CHEMBL3145 | P42338 | PI3-kinase p110-beta subunit | 81.84% | 98.75% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 81.03% | 95.89% |
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.
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| There are no matching plants. |
| PubChem | 72807402 |
| LOTUS | LTS0131529 |
| wikiData | Q105227673 |