6,6-Dimethyl-5-(3-oxobutyl)-10-pentyl-2,7-dioxatricyclo[6.3.1.04,12]dodeca-1(11),3,8(12),9-tetraene-11-carboxylic acid
| Internal ID | 17c2273e-3d0c-440a-a262-6eb1058ca677 |
| Taxonomy | Organoheterocyclic compounds > Benzopyrans > 1-benzopyrans |
| IUPAC Name | 6,6-dimethyl-5-(3-oxobutyl)-10-pentyl-2,7-dioxatricyclo[6.3.1.04,12]dodeca-1(11),3,8(12),9-tetraene-11-carboxylic acid |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C22H28O5/c1-5-6-7-8-14-11-17-19-15(12-26-20(19)18(14)21(24)25)16(10-9-13(2)23)22(3,4)27-17/h11-12,16H,5-10H2,1-4H3,(H,24,25) |
| InChI Key | WEYZBZCYDDIMCS-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C22H28O5 |
| Molecular Weight | 372.50 g/mol |
| Exact Mass | 372.19367399 g/mol |
| Topological Polar Surface Area (TPSA) | 76.70 Ų |
| XlogP | 4.70 |
| There are no found synonyms. |
![2D Structure of 6,6-Dimethyl-5-(3-oxobutyl)-10-pentyl-2,7-dioxatricyclo[6.3.1.04,12]dodeca-1(11),3,8(12),9-tetraene-11-carboxylic acid](https://plantaedb.com/storage/docs/compounds/2023/11/181b7e90-8575-11ee-9c1e-650851005ea6.jpg "2D Structure of 6,6-Dimethyl-5-(3-oxobutyl)-10-pentyl-2,7-dioxatricyclo[6.3.1.04,12]dodeca-1(11),3,8(12),9-tetraene-11-carboxylic acid")
| 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 |
|---|---|---|---|---|
| CHEMBL2581 | P07339 | Cathepsin D | 98.36% | 98.95% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 98.03% | 91.11% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 95.61% | 97.25% |
| CHEMBL335 | P18031 | Protein-tyrosine phosphatase 1B | 92.98% | 95.17% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 92.52% | 94.45% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 91.87% | 94.73% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 91.41% | 96.09% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 90.28% | 86.33% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 88.35% | 99.17% |
| CHEMBL1966 | Q02127 | Dihydroorotate dehydrogenase | 87.55% | 96.09% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 87.37% | 89.00% |
| CHEMBL4040 | P28482 | MAP kinase ERK2 | 85.23% | 83.82% |
| CHEMBL4769 | O95749 | Geranylgeranyl pyrophosphate synthetase | 85.10% | 92.08% |
| CHEMBL230 | P35354 | Cyclooxygenase-2 | 81.77% | 89.63% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 81.11% | 99.23% |
| CHEMBL5805 | Q9NR97 | Toll-like receptor 8 | 81.08% | 96.25% |
| CHEMBL4793 | Q86TI2 | Dipeptidyl peptidase IX | 80.97% | 96.95% |
| CHEMBL3864 | Q06124 | Protein-tyrosine phosphatase 2C | 80.93% | 94.42% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 80.02% | 93.56% |
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.
| Cannabis sativa |
| PubChem | 74932476 |
| LOTUS | LTS0044909 |
| wikiData | Q105303699 |