5-[12-(2,5-Dimethoxy-3-methylphenyl)-8-hydroxy-6,10-dimethyldodeca-2,6,10-trien-2-yl]-2,2-dimethyloxolan-3-ol
| Internal ID | 99bd19bf-de55-4747-a356-5c1965255f78 |
| Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Terpene glycosides > Diterpene glycosides |
| IUPAC Name | 5-[12-(2,5-dimethoxy-3-methylphenyl)-8-hydroxy-6,10-dimethyldodeca-2,6,10-trien-2-yl]-2,2-dimethyloxolan-3-ol |
| SMILES (Canonical) | CC1=CC(=CC(=C1OC)CC=C(C)CC(C=C(C)CCC=C(C)C2CC(C(O2)(C)C)O)O)OC |
| SMILES (Isomeric) | CC1=CC(=CC(=C1OC)CC=C(C)CC(C=C(C)CCC=C(C)C2CC(C(O2)(C)C)O)O)OC |
| InChI | InChI=1S/C29H44O5/c1-19(10-9-11-21(3)26-18-27(31)29(5,6)34-26)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 |
| InChI Key | JYCGRPWCBLRMRH-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C29H44O5 |
| Molecular Weight | 472.70 g/mol |
| Exact Mass | 472.31887450 g/mol |
| Topological Polar Surface Area (TPSA) | 68.20 Ų |
| XlogP | 6.20 |
| There are no found synonyms. |
![2D Structure of 5-[12-(2,5-Dimethoxy-3-methylphenyl)-8-hydroxy-6,10-dimethyldodeca-2,6,10-trien-2-yl]-2,2-dimethyloxolan-3-ol](https://plantaedb.com/storage/docs/compounds/2023/11/fa20fbc0-85a5-11ee-bb8d-bd379652b250.jpg "2D Structure of 5-[12-(2,5-Dimethoxy-3-methylphenyl)-8-hydroxy-6,10-dimethyldodeca-2,6,10-trien-2-yl]-2,2-dimethyloxolan-3-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 | 99.41% | 91.11% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 98.70% | 85.14% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 97.23% | 96.09% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 93.27% | 97.09% |
| CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 92.74% | 95.89% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 92.49% | 99.17% |
| CHEMBL4793 | Q86TI2 | Dipeptidyl peptidase IX | 90.29% | 96.95% |
| CHEMBL215 | P09917 | Arachidonate 5-lipoxygenase | 89.45% | 92.68% |
| CHEMBL2716 | Q8WUI4 | Histone deacetylase 7 | 87.73% | 89.44% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 87.64% | 95.56% |
| CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 87.26% | 99.15% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 86.92% | 86.33% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 86.40% | 94.73% |
| CHEMBL4657 | Q6V1X1 | Dipeptidyl peptidase VIII | 86.03% | 97.21% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 85.70% | 90.00% |
| CHEMBL2007 | P16234 | Platelet-derived growth factor receptor alpha | 85.07% | 91.07% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 84.78% | 92.62% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 83.38% | 94.45% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 83.33% | 96.00% |
| CHEMBL2581 | P07339 | Cathepsin D | 83.28% | 98.95% |
| CHEMBL3922 | P50579 | Methionine aminopeptidase 2 | 82.15% | 97.28% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 81.82% | 91.19% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 81.62% | 89.00% |
| CHEMBL4187 | Q99250 | Sodium channel protein type II alpha subunit | 81.08% | 95.50% |
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 | 72728599 |
| LOTUS | LTS0041905 |
| wikiData | Q105136922 |