6-(1,3-Benzodioxol-5-yl)-4-hydroxy-3-methoxy-7-methyl-1-prop-2-enylbicyclo[3.2.1]oct-2-en-8-one
| Internal ID | 4d481aa9-f79e-4ed9-ad3d-3b802dbf5b00 |
| Taxonomy | Organoheterocyclic compounds > Benzodioxoles |
| IUPAC Name | 6-(1,3-benzodioxol-5-yl)-4-hydroxy-3-methoxy-7-methyl-1-prop-2-enylbicyclo[3.2.1]oct-2-en-8-one |
| SMILES (Canonical) | CC1C(C2C(C(=CC1(C2=O)CC=C)OC)O)C3=CC4=C(C=C3)OCO4 |
| SMILES (Isomeric) | CC1C(C2C(C(=CC1(C2=O)CC=C)OC)O)C3=CC4=C(C=C3)OCO4 |
| InChI | InChI=1S/C20H22O5/c1-4-7-20-9-15(23-3)18(21)17(19(20)22)16(11(20)2)12-5-6-13-14(8-12)25-10-24-13/h4-6,8-9,11,16-18,21H,1,7,10H2,2-3H3 |
| InChI Key | LMEBFVJZZLWXDR-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C20H22O5 |
| Molecular Weight | 342.40 g/mol |
| Exact Mass | 342.14672380 g/mol |
| Topological Polar Surface Area (TPSA) | 65.00 Ų |
| XlogP | 2.50 |
| There are no found synonyms. |
![2D Structure of 6-(1,3-Benzodioxol-5-yl)-4-hydroxy-3-methoxy-7-methyl-1-prop-2-enylbicyclo[3.2.1]oct-2-en-8-one](https://plantaedb.com/storage/docs/compounds/2023/11/6-13-benzodioxol-5-yl-4-hydroxy-3-methoxy-7-methyl-1-prop-2-enylbicyclo321oct-2-en-8-one.jpg "2D Structure of 6-(1,3-Benzodioxol-5-yl)-4-hydroxy-3-methoxy-7-methyl-1-prop-2-enylbicyclo[3.2.1]oct-2-en-8-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 | 97.97% | 91.11% |
| CHEMBL4303 | P08238 | Heat shock protein HSP 90-beta | 97.32% | 96.77% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 96.64% | 96.09% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 93.80% | 94.45% |
| CHEMBL4481 | P35228 | Nitric oxide synthase, inducible | 93.25% | 94.80% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 92.51% | 85.14% |
| CHEMBL2581 | P07339 | Cathepsin D | 92.16% | 98.95% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 91.81% | 97.09% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 91.06% | 95.56% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 89.49% | 86.33% |
| CHEMBL240 | Q12809 | HERG | 88.84% | 89.76% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 88.08% | 92.62% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 87.94% | 89.00% |
| CHEMBL5697 | Q9GZT9 | Egl nine homolog 1 | 86.64% | 93.40% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 82.93% | 95.89% |
| CHEMBL4530 | P00488 | Coagulation factor XIII | 81.52% | 96.00% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 80.27% | 90.00% |
| CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 80.02% | 95.89% |
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.
| Ocotea porosa |
| PubChem | 85094630 |
| LOTUS | LTS0089552 |
| wikiData | Q105153905 |