6-(1,3-Benzodioxol-5-yl)-4-hydroxy-3-methoxy-7-methyl-1-prop-2-enylbicyclo[3.2.1]octan-8-one
| Internal ID | ef5ce3cd-ba42-4728-a9a0-aa8b84eb6f0a |
| 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]octan-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/C20H24O5/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/h4-6,8,11,15-18,21H,1,7,9-10H2,2-3H3 |
| InChI Key | PQTLHZICQDEGSQ-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C20H24O5 |
| Molecular Weight | 344.40 g/mol |
| Exact Mass | 344.16237386 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]octan-8-one](https://plantaedb.com/storage/docs/compounds/2023/11/6-13-benzodioxol-5-yl-4-hydroxy-3-methoxy-7-methyl-1-prop-2-enylbicyclo321octan-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]octan-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 | 99.36% | 91.11% |
| CHEMBL4303 | P08238 | Heat shock protein HSP 90-beta | 98.44% | 96.77% |
| CHEMBL240 | Q12809 | HERG | 96.59% | 89.76% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 95.98% | 85.14% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 95.54% | 94.45% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 95.07% | 96.09% |
| CHEMBL2581 | P07339 | Cathepsin D | 93.35% | 98.95% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 93.12% | 97.09% |
| CHEMBL4481 | P35228 | Nitric oxide synthase, inducible | 92.89% | 94.80% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 90.67% | 95.56% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 89.92% | 89.00% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 86.30% | 100.00% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 85.96% | 86.33% |
| CHEMBL4530 | P00488 | Coagulation factor XIII | 85.78% | 96.00% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 85.16% | 92.62% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 84.21% | 94.73% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 83.62% | 90.00% |
| CHEMBL5697 | Q9GZT9 | Egl nine homolog 1 | 83.48% | 93.40% |
| CHEMBL3572 | P11597 | Cholesteryl ester transfer protein | 82.50% | 92.67% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 82.07% | 95.89% |
| CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 81.95% | 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 | 162944585 |
| LOTUS | LTS0119968 |
| wikiData | Q105213442 |