2-[(2E,6E,10R,11R)-10,11-dihydroxy-3,7,11,15-tetramethylhexadeca-2,6,14-trienyl]-6-methylbenzene-1,4-diol
| Internal ID | e1c4a7cd-b717-438e-888a-124a53ad9b21 |
| Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Diterpenoids |
| IUPAC Name | 2-[(2E,6E,10R,11R)-10,11-dihydroxy-3,7,11,15-tetramethylhexadeca-2,6,14-trienyl]-6-methylbenzene-1,4-diol |
| SMILES (Canonical) | CC1=CC(=CC(=C1O)CC=C(C)CCC=C(C)CCC(C(C)(CCC=C(C)C)O)O)O |
| SMILES (Isomeric) | CC1=CC(=CC(=C1O)C/C=C(\C)/CC/C=C(\C)/CC[C@H]([C@@](C)(CCC=C(C)C)O)O)O |
| InChI | InChI=1S/C27H42O4/c1-19(2)9-8-16-27(6,31)25(29)15-13-21(4)11-7-10-20(3)12-14-23-18-24(28)17-22(5)26(23)30/h9,11-12,17-18,25,28-31H,7-8,10,13-16H2,1-6H3/b20-12+,21-11+/t25-,27-/m1/s1 |
| InChI Key | FKJDTRKCBIZIMU-IBFONUMDSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C27H42O4 |
| Molecular Weight | 430.60 g/mol |
| Exact Mass | 430.30830982 g/mol |
| Topological Polar Surface Area (TPSA) | 80.90 Ų |
| XlogP | 6.90 |
| There are no found synonyms. |
![2D Structure of 2-[(2E,6E,10R,11R)-10,11-dihydroxy-3,7,11,15-tetramethylhexadeca-2,6,14-trienyl]-6-methylbenzene-1,4-diol](https://plantaedb.com/storage/docs/compounds/2023/11/4204a140-86ba-11ee-b803-29c76c19b076.jpg "2D Structure of 2-[(2E,6E,10R,11R)-10,11-dihydroxy-3,7,11,15-tetramethylhexadeca-2,6,14-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 | 98.21% | 91.11% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 97.31% | 94.73% |
| CHEMBL2581 | P07339 | Cathepsin D | 96.14% | 98.95% |
| CHEMBL4769 | O95749 | Geranylgeranyl pyrophosphate synthetase | 94.50% | 92.08% |
| CHEMBL215 | P09917 | Arachidonate 5-lipoxygenase | 93.41% | 92.68% |
| CHEMBL1907594 | P30926 | Neuronal acetylcholine receptor; alpha3/beta4 | 88.92% | 97.23% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 88.04% | 99.17% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 85.78% | 90.71% |
| CHEMBL4581 | P52732 | Kinesin-like protein 1 | 85.78% | 93.18% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 85.69% | 86.33% |
| CHEMBL1929 | P47989 | Xanthine dehydrogenase | 85.40% | 96.12% |
| CHEMBL5966 | P55899 | IgG receptor FcRn large subunit p51 | 83.78% | 90.93% |
| CHEMBL4657 | Q6V1X1 | Dipeptidyl peptidase VIII | 83.14% | 97.21% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 82.77% | 96.09% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 81.59% | 85.14% |
Below are displayed all the plants proven (via scientific papers) to contain this
compound!
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| There are no matching plants. |
| PubChem | 163190899 |
| LOTUS | LTS0073955 |
| wikiData | Q104996636 |