(2R,3E,7E,9R,11E)-13-(2,5-dimethoxy-3-methylphenyl)-1-[(2S)-3,3-dimethyloxiran-2-yl]-3,7,11-trimethyltrideca-3,7,11-triene-2,9-diol
| Internal ID | 17ae8bc5-aef4-4ace-8236-26390addff5d |
| Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Diterpenoids |
| IUPAC Name | (2R,3E,7E,9R,11E)-13-(2,5-dimethoxy-3-methylphenyl)-1-[(2S)-3,3-dimethyloxiran-2-yl]-3,7,11-trimethyltrideca-3,7,11-triene-2,9-diol |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C29H44O5/c1-19(10-9-11-21(3)26(31)18-27-29(5,6)34-27)14-24(30)15-20(2)12-13-23-17-25(32-7)16-22(4)28(23)33-8/h11-12,14,16-17,24,26-27,30-31H,9-10,13,15,18H2,1-8H3/b19-14+,20-12+,21-11+/t24-,26+,27-/m0/s1 |
| InChI Key | SWSVYTJJPVISMA-RIQNSUNJSA-N |
| Popularity | 2 references in papers |
| Molecular Formula | C29H44O5 |
| Molecular Weight | 472.70 g/mol |
| Exact Mass | 472.31887450 g/mol |
| Topological Polar Surface Area (TPSA) | 71.50 Ų |
| XlogP | 6.20 |
| There are no found synonyms. |
![2D Structure of (2R,3E,7E,9R,11E)-13-(2,5-dimethoxy-3-methylphenyl)-1-[(2S)-3,3-dimethyloxiran-2-yl]-3,7,11-trimethyltrideca-3,7,11-triene-2,9-diol](https://plantaedb.com/storage/docs/compounds/2023/11/e4377b90-8702-11ee-9dec-f128f6b90b14.jpg "2D Structure of (2R,3E,7E,9R,11E)-13-(2,5-dimethoxy-3-methylphenyl)-1-[(2S)-3,3-dimethyloxiran-2-yl]-3,7,11-trimethyltrideca-3,7,11-triene-2,9-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 | 98.97% | 91.11% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 98.55% | 85.14% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 95.34% | 96.09% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 92.59% | 94.73% |
| CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 92.36% | 95.89% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 91.88% | 99.17% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 88.54% | 95.56% |
| CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 88.05% | 99.15% |
| CHEMBL215 | P09917 | Arachidonate 5-lipoxygenase | 87.12% | 92.68% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 86.66% | 96.00% |
| CHEMBL4581 | P52732 | Kinesin-like protein 1 | 85.15% | 93.18% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 84.45% | 86.33% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 83.17% | 97.09% |
| CHEMBL2716 | Q8WUI4 | Histone deacetylase 7 | 82.87% | 89.44% |
| CHEMBL4481 | P35228 | Nitric oxide synthase, inducible | 82.30% | 94.80% |
| CHEMBL2007 | P16234 | Platelet-derived growth factor receptor alpha | 82.20% | 91.07% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 82.08% | 94.45% |
| CHEMBL2107 | P61073 | C-X-C chemokine receptor type 4 | 82.01% | 93.10% |
| CHEMBL3922 | P50579 | Methionine aminopeptidase 2 | 81.19% | 97.28% |
| CHEMBL4478 | Q00975 | Voltage-gated N-type calcium channel alpha-1B subunit | 81.19% | 97.14% |
| CHEMBL4657 | Q6V1X1 | Dipeptidyl peptidase VIII | 81.14% | 97.21% |
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.
| There are no matching plants. |
| PubChem | 163194532 |
| LOTUS | LTS0210808 |
| wikiData | Q105262855 |