(1S,10Z)-2,2,10-trimethyl-6-pentyl-3,9-dioxatricyclo[6.5.2.04,15]pentadeca-4,6,8(15),10-tetraen-14-one
| Internal ID | b8c8ec0c-7049-4ad7-9f76-97d00d676e33 |
| Taxonomy | Organoheterocyclic compounds > Benzopyrans > 1-benzopyrans > 2,2-dimethyl-1-benzopyrans |
| IUPAC Name | (1S,10Z)-2,2,10-trimethyl-6-pentyl-3,9-dioxatricyclo[6.5.2.04,15]pentadeca-4,6,8(15),10-tetraen-14-one |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C21H28O3/c1-5-6-7-10-15-12-17-19-18(13-15)24-21(3,4)16(20(19)22)11-8-9-14(2)23-17/h9,12-13,16H,5-8,10-11H2,1-4H3/b14-9-/t16-/m1/s1 |
| InChI Key | KVIOVSOUWUNPCR-IHWMJMDHSA-N |
| Popularity | 2 references in papers |
| Molecular Formula | C21H28O3 |
| Molecular Weight | 328.40 g/mol |
| Exact Mass | 328.20384475 g/mol |
| Topological Polar Surface Area (TPSA) | 35.50 Ų |
| XlogP | 5.60 |
| There are no found synonyms. |
![2D Structure of (1S,10Z)-2,2,10-trimethyl-6-pentyl-3,9-dioxatricyclo[6.5.2.04,15]pentadeca-4,6,8(15),10-tetraen-14-one](https://plantaedb.com/storage/docs/compounds/2023/11/8f6665b0-8701-11ee-9121-c5c641f230a3.jpg "2D Structure of (1S,10Z)-2,2,10-trimethyl-6-pentyl-3,9-dioxatricyclo[6.5.2.04,15]pentadeca-4,6,8(15),10-tetraen-14-one")
| 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 | 98.32% | 98.95% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 96.65% | 91.11% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 93.73% | 94.45% |
| CHEMBL4481 | P35228 | Nitric oxide synthase, inducible | 93.44% | 94.80% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 92.95% | 97.25% |
| CHEMBL335 | P18031 | Protein-tyrosine phosphatase 1B | 92.07% | 95.17% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 91.92% | 96.09% |
| CHEMBL240 | Q12809 | HERG | 89.59% | 89.76% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 89.38% | 97.09% |
| CHEMBL230 | P35354 | Cyclooxygenase-2 | 87.94% | 89.63% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 87.11% | 95.56% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 86.94% | 94.73% |
| CHEMBL5805 | Q9NR97 | Toll-like receptor 8 | 86.40% | 96.25% |
| CHEMBL3807 | P17706 | T-cell protein-tyrosine phosphatase | 85.94% | 93.00% |
| CHEMBL5203 | P33316 | dUTP pyrophosphatase | 85.70% | 99.18% |
| CHEMBL5255 | O00206 | Toll-like receptor 4 | 85.34% | 92.50% |
| CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 84.90% | 95.89% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 84.76% | 89.00% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 84.60% | 95.89% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 84.19% | 86.33% |
| CHEMBL1907 | P15144 | Aminopeptidase N | 83.89% | 93.31% |
| CHEMBL2274 | Q9H228 | Sphingosine 1-phosphate receptor Edg-8 | 83.31% | 100.00% |
| CHEMBL4769 | O95749 | Geranylgeranyl pyrophosphate synthetase | 82.26% | 92.08% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 81.96% | 90.71% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 81.39% | 92.62% |
| CHEMBL4303 | P08238 | Heat shock protein HSP 90-beta | 80.52% | 96.77% |
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 | 25105401 |
| LOTUS | LTS0192796 |
| wikiData | Q105146541 |