2-[5-Hydroxy-3,7,11-trimethyl-12-(4-methylfuran-2-yl)dodeca-2,6,10-trienyl]-6-methylbenzene-1,4-diol
| Internal ID | 9ff63798-64d1-4425-ac8a-f18c59f35fa7 |
| Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Sesquiterpenoids |
| IUPAC Name | 2-[5-hydroxy-3,7,11-trimethyl-12-(4-methylfuran-2-yl)dodeca-2,6,10-trienyl]-6-methylbenzene-1,4-diol |
| SMILES (Canonical) | CC1=CC(=CC(=C1O)CC=C(C)CC(C=C(C)CCC=C(C)CC2=CC(=CO2)C)O)O |
| SMILES (Isomeric) | CC1=CC(=CC(=C1O)CC=C(C)CC(C=C(C)CCC=C(C)CC2=CC(=CO2)C)O)O |
| InChI | InChI=1S/C27H36O4/c1-18(7-6-8-19(2)13-26-14-21(4)17-31-26)11-24(28)12-20(3)9-10-23-16-25(29)15-22(5)27(23)30/h8-9,11,14-17,24,28-30H,6-7,10,12-13H2,1-5H3 |
| InChI Key | BWWUGYWTYAYXJO-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C27H36O4 |
| Molecular Weight | 424.60 g/mol |
| Exact Mass | 424.26135963 g/mol |
| Topological Polar Surface Area (TPSA) | 73.80 Ų |
| XlogP | 7.10 |
| There are no found synonyms. |
![2D Structure of 2-[5-Hydroxy-3,7,11-trimethyl-12-(4-methylfuran-2-yl)dodeca-2,6,10-trienyl]-6-methylbenzene-1,4-diol](https://plantaedb.com/storage/docs/compounds/2023/11/2-5-hydroxy-3711-trimethyl-12-4-methylfuran-2-yldodeca-2610-trienyl-6-methylbenzene-14-diol.jpg "2D Structure of 2-[5-Hydroxy-3,7,11-trimethyl-12-(4-methylfuran-2-yl)dodeca-2,6,10-trienyl]-6-methylbenzene-1,4-diol")
| 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 | 99.39% | 91.11% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 96.09% | 94.73% |
| CHEMBL2581 | P07339 | Cathepsin D | 94.64% | 98.95% |
| CHEMBL2107 | P61073 | C-X-C chemokine receptor type 4 | 89.83% | 93.10% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 88.96% | 99.17% |
| CHEMBL4581 | P52732 | Kinesin-like protein 1 | 87.01% | 93.18% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 86.26% | 90.71% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 85.48% | 89.00% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 81.88% | 95.56% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 81.76% | 96.00% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 81.41% | 86.33% |
| CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 80.61% | 99.15% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 80.60% | 85.14% |
| CHEMBL4657 | Q6V1X1 | Dipeptidyl peptidase VIII | 80.49% | 97.21% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 80.40% | 90.00% |
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.
| Plumeria obtusa |
| Psidium guajava |
| PubChem | 72726464 |
| LOTUS | LTS0142647 |
| wikiData | Q104909453 |