5,13,13-Trimethyl-9,18-dioxapentacyclo[8.6.2.12,6.01,12.010,19]nonadeca-2(19),3,5-trien-14-ol
| Internal ID | dcfa9e9b-80a3-44d3-b7ce-077c4c3c298c |
| Taxonomy | Organoheterocyclic compounds > Naphthopyrans |
| IUPAC Name | 5,13,13-trimethyl-9,18-dioxapentacyclo[8.6.2.12,6.01,12.010,19]nonadeca-2(19),3,5-trien-14-ol |
| SMILES (Canonical) | CC1=C2CCOC34C2=C(C=C1)C5(CCC(C(C5C3)(C)C)O)CO4 |
| SMILES (Isomeric) | CC1=C2CCOC34C2=C(C=C1)C5(CCC(C(C5C3)(C)C)O)CO4 |
| InChI | InChI=1S/C20H26O3/c1-12-4-5-14-17-13(12)7-9-22-20(17)10-15-18(2,3)16(21)6-8-19(14,15)11-23-20/h4-5,15-16,21H,6-11H2,1-3H3 |
| InChI Key | IMWRMTMGOAEYPG-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C20H26O3 |
| Molecular Weight | 314.40 g/mol |
| Exact Mass | 314.18819469 g/mol |
| Topological Polar Surface Area (TPSA) | 38.70 Ų |
| XlogP | 3.10 |
| There are no found synonyms. |
![2D Structure of 5,13,13-Trimethyl-9,18-dioxapentacyclo[8.6.2.12,6.01,12.010,19]nonadeca-2(19),3,5-trien-14-ol](https://plantaedb.com/storage/docs/compounds/2023/11/51313-trimethyl-918-dioxapentacyclo862126011201019nonadeca-21935-trien-14-ol.jpg "2D Structure of 5,13,13-Trimethyl-9,18-dioxapentacyclo[8.6.2.12,6.01,12.010,19]nonadeca-2(19),3,5-trien-14-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 | 94.77% | 91.11% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 92.91% | 100.00% |
| CHEMBL241 | Q14432 | Phosphodiesterase 3A | 91.70% | 92.94% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 91.64% | 97.09% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 89.70% | 96.09% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 89.09% | 95.89% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 89.05% | 95.56% |
| CHEMBL4040 | P28482 | MAP kinase ERK2 | 87.18% | 83.82% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 86.74% | 86.33% |
| CHEMBL4681 | P42330 | Aldo-keto-reductase family 1 member C3 | 84.03% | 89.05% |
| CHEMBL2581 | P07339 | Cathepsin D | 83.21% | 98.95% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 82.84% | 89.00% |
| CHEMBL3524 | P56524 | Histone deacetylase 4 | 81.43% | 92.97% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 80.79% | 94.45% |
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.
| Coleostephus myconis |
| Leucanthemum maximum |
| Leucanthemum vulgare subsp. vulgare |
| Santolina chamaecyparissus |
| Santolina oblongifolia |
| Vellozia declinans |
| PubChem | 162851735 |
| LOTUS | LTS0039749 |
| wikiData | Q105005139 |