2',10-Dimethoxy-6,7-dimethylspiro[5,6,7,8-tetrahydrocyclohepta[f][1,3]benzodioxole-9,4'-cyclohexa-2,5-diene]-1'-one
| Internal ID | faa720dc-935b-41a1-8c4f-384420c42b1d |
| Taxonomy | Organoheterocyclic compounds > Benzodioxoles |
| IUPAC Name | 2',10-dimethoxy-6,7-dimethylspiro[5,6,7,8-tetrahydrocyclohepta[f][1,3]benzodioxole-9,4'-cyclohexa-2,5-diene]-1'-one |
| SMILES (Canonical) | CC1CC2=CC3=C(C(=C2C4(CC1C)C=CC(=O)C(=C4)OC)OC)OCO3 |
| SMILES (Isomeric) | CC1CC2=CC3=C(C(=C2C4(CC1C)C=CC(=O)C(=C4)OC)OC)OCO3 |
| InChI | InChI=1S/C21H24O5/c1-12-7-14-8-16-19(26-11-25-16)20(24-4)18(14)21(9-13(12)2)6-5-15(22)17(10-21)23-3/h5-6,8,10,12-13H,7,9,11H2,1-4H3 |
| InChI Key | HNPONWCHSOUHHO-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C21H24O5 |
| Molecular Weight | 356.40 g/mol |
| Exact Mass | 356.16237386 g/mol |
| Topological Polar Surface Area (TPSA) | 54.00 Ų |
| XlogP | 4.70 |
| There are no found synonyms. |
![2D Structure of 2',10-Dimethoxy-6,7-dimethylspiro[5,6,7,8-tetrahydrocyclohepta[f][1,3]benzodioxole-9,4'-cyclohexa-2,5-diene]-1'-one](https://plantaedb.com/storage/docs/compounds/2023/11/1faa77e0-8560-11ee-9027-b1831bd16db0.jpg "2D Structure of 2',10-Dimethoxy-6,7-dimethylspiro[5,6,7,8-tetrahydrocyclohepta[f][1,3]benzodioxole-9,4'-cyclohexa-2,5-diene]-1'-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 |
|---|---|---|---|---|
| CHEMBL4303 | P08238 | Heat shock protein HSP 90-beta | 99.01% | 96.77% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 98.73% | 91.11% |
| CHEMBL4481 | P35228 | Nitric oxide synthase, inducible | 95.16% | 94.80% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 95.13% | 86.33% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 92.01% | 94.45% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 91.57% | 95.56% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 91.36% | 96.09% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 88.21% | 97.09% |
| CHEMBL5697 | Q9GZT9 | Egl nine homolog 1 | 86.98% | 93.40% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 86.65% | 94.00% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 86.56% | 100.00% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 86.54% | 85.14% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 86.28% | 89.00% |
| CHEMBL4306 | P22460 | Voltage-gated potassium channel subunit Kv1.5 | 85.55% | 94.03% |
| CHEMBL2535 | P11166 | Glucose transporter | 85.22% | 98.75% |
| CHEMBL5311 | P37023 | Serine/threonine-protein kinase receptor R3 | 84.06% | 82.67% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 83.94% | 95.89% |
| CHEMBL2094127 | P06493 | Cyclin-dependent kinase 1/cyclin B | 83.25% | 96.00% |
| CHEMBL3192 | Q9BY41 | Histone deacetylase 8 | 83.05% | 93.99% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 82.86% | 97.25% |
| CHEMBL2581 | P07339 | Cathepsin D | 82.03% | 98.95% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 81.91% | 92.62% |
| CHEMBL4478 | Q00975 | Voltage-gated N-type calcium channel alpha-1B subunit | 81.43% | 97.14% |
| CHEMBL4225 | P49760 | Dual specificity protein kinase CLK2 | 80.78% | 80.96% |
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.
| Eupomatia laurina |
| PubChem | 14825955 |
| LOTUS | LTS0200239 |
| wikiData | Q105031011 |