9-(6-Hydroxy-2,8-dimethylchromen-2-yl)-6-methyl-2-(4-methylpent-3-enyl)nona-2,6-dienoic acid
| Internal ID | 23437aee-63d3-4f5a-ba11-ccbbeaba6303 |
| Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Quinone and hydroquinone lipids > Vitamin E compounds > Tocotrienols |
| IUPAC Name | 9-(6-hydroxy-2,8-dimethylchromen-2-yl)-6-methyl-2-(4-methylpent-3-enyl)nona-2,6-dienoic acid |
| SMILES (Canonical) | CC1=CC(=CC2=C1OC(C=C2)(C)CCC=C(C)CCC=C(CCC=C(C)C)C(=O)O)O |
| SMILES (Isomeric) | CC1=CC(=CC2=C1OC(C=C2)(C)CCC=C(C)CCC=C(CCC=C(C)C)C(=O)O)O |
| InChI | InChI=1S/C27H36O4/c1-19(2)9-6-12-22(26(29)30)13-7-10-20(3)11-8-15-27(5)16-14-23-18-24(28)17-21(4)25(23)31-27/h9,11,13-14,16-18,28H,6-8,10,12,15H2,1-5H3,(H,29,30) |
| InChI Key | QKXAGRZCXAYBQX-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) | 66.80 Ų |
| XlogP | 7.20 |
| There are no found synonyms. |
| 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 | 98.46% | 91.11% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 95.28% | 94.73% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 93.66% | 99.17% |
| CHEMBL1293255 | P15428 | 15-hydroxyprostaglandin dehydrogenase [NAD+] | 91.97% | 83.57% |
| CHEMBL4769 | O95749 | Geranylgeranyl pyrophosphate synthetase | 91.62% | 92.08% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 89.30% | 86.33% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 89.25% | 89.00% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 87.29% | 95.56% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 87.20% | 94.45% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 87.14% | 96.09% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 86.77% | 90.00% |
| CHEMBL2581 | P07339 | Cathepsin D | 84.13% | 98.95% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 83.61% | 96.00% |
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.
| Iryanthera juruensis |
| Pycnanthus angolensis |
| Roldana barba-johannis |
| PubChem | 75599899 |
| LOTUS | LTS0127090 |
| wikiData | Q104195923 |