9,13,17-Trimethyl-4,12,19-trioxapentacyclo[11.5.1.02,11.05,10.014,18]nonadeca-2(11),5,7,9-tetraen-3-one
| Internal ID | aa357fc6-3965-4431-bd53-89d6aee85a75 |
| Taxonomy | Phenylpropanoids and polyketides > Coumarins and derivatives |
| IUPAC Name | 9,13,17-trimethyl-4,12,19-trioxapentacyclo[11.5.1.02,11.05,10.014,18]nonadeca-2(11),5,7,9-tetraen-3-one |
| SMILES (Canonical) | CC1CCC2C1C3C4=C(C5=C(C=CC=C5OC4=O)C)OC2(O3)C |
| SMILES (Isomeric) | CC1CCC2C1C3C4=C(C5=C(C=CC=C5OC4=O)C)OC2(O3)C |
| InChI | InChI=1S/C19H20O4/c1-9-5-4-6-12-14(9)17-15(18(20)21-12)16-13-10(2)7-8-11(13)19(3,22-16)23-17/h4-6,10-11,13,16H,7-8H2,1-3H3 |
| InChI Key | XBCBDSPDEPBQSQ-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C19H20O4 |
| Molecular Weight | 312.40 g/mol |
| Exact Mass | 312.13615911 g/mol |
| Topological Polar Surface Area (TPSA) | 44.80 Ų |
| XlogP | 3.50 |
| There are no found synonyms. |
![2D Structure of 9,13,17-Trimethyl-4,12,19-trioxapentacyclo[11.5.1.02,11.05,10.014,18]nonadeca-2(11),5,7,9-tetraen-3-one](https://plantaedb.com/storage/docs/compounds/2023/11/f74dd6e0-85a5-11ee-b39d-ad6039403b58.jpg "2D Structure of 9,13,17-Trimethyl-4,12,19-trioxapentacyclo[11.5.1.02,11.05,10.014,18]nonadeca-2(11),5,7,9-tetraen-3-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 |
|---|---|---|---|---|
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 96.15% | 91.11% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 94.58% | 95.56% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 93.56% | 97.09% |
| CHEMBL2581 | P07339 | Cathepsin D | 93.37% | 98.95% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 90.56% | 89.00% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 89.36% | 86.33% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 89.10% | 99.23% |
| CHEMBL5966 | P55899 | IgG receptor FcRn large subunit p51 | 88.08% | 90.93% |
| CHEMBL4481 | P35228 | Nitric oxide synthase, inducible | 87.65% | 94.80% |
| CHEMBL4040 | P28482 | MAP kinase ERK2 | 87.33% | 83.82% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 86.85% | 94.00% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 86.41% | 94.73% |
| CHEMBL5805 | Q9NR97 | Toll-like receptor 8 | 83.59% | 96.25% |
| CHEMBL4303 | P08238 | Heat shock protein HSP 90-beta | 83.31% | 96.77% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 82.28% | 100.00% |
| CHEMBL4478 | Q00975 | Voltage-gated N-type calcium channel alpha-1B subunit | 81.80% | 97.14% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 81.44% | 95.89% |
| CHEMBL1907600 | Q00535 | Cyclin-dependent kinase 5/CDK5 activator 1 | 80.91% | 93.03% |
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.
| Lycoseris triplinervia |
| PubChem | 14108764 |
| LOTUS | LTS0128855 |
| wikiData | Q105324313 |