(10R,14S)-14-methoxy-6,6,10-trimethyl-13-oxatetracyclo[9.8.0.02,7.014,19]nonadeca-1(11),2(7),15,18-tetraen-17-one
| Internal ID | ec0481dc-d64d-4805-ad42-9c1f45e06412 |
| Taxonomy | Organic oxygen compounds > Organooxygen compounds > Ethers > Acetals > Ketals |
| IUPAC Name | (10R,14S)-14-methoxy-6,6,10-trimethyl-13-oxatetracyclo[9.8.0.02,7.014,19]nonadeca-1(11),2(7),15,18-tetraen-17-one |
| SMILES (Canonical) | CC1CCC2=C(CCCC2(C)C)C3=C1COC4(C3=CC(=O)C=C4)OC |
| SMILES (Isomeric) | C[C@@H]1CCC2=C(CCCC2(C)C)C3=C1CO[C@@]4(C3=CC(=O)C=C4)OC |
| InChI | InChI=1S/C22H28O3/c1-14-7-8-18-16(6-5-10-21(18,2)3)20-17(14)13-25-22(24-4)11-9-15(23)12-19(20)22/h9,11-12,14H,5-8,10,13H2,1-4H3/t14-,22+/m1/s1 |
| InChI Key | YMKZVJUNSYAWMV-PEBXRYMYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C22H28O3 |
| Molecular Weight | 340.50 g/mol |
| Exact Mass | 340.20384475 g/mol |
| Topological Polar Surface Area (TPSA) | 35.50 Ų |
| XlogP | 2.60 |
| There are no found synonyms. |
![2D Structure of (10R,14S)-14-methoxy-6,6,10-trimethyl-13-oxatetracyclo[9.8.0.02,7.014,19]nonadeca-1(11),2(7),15,18-tetraen-17-one](https://plantaedb.com/storage/docs/compounds/2023/11/19c964e0-853d-11ee-bfaa-1ba85d7adeba.jpg "2D Structure of (10R,14S)-14-methoxy-6,6,10-trimethyl-13-oxatetracyclo[9.8.0.02,7.014,19]nonadeca-1(11),2(7),15,18-tetraen-17-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 | 98.15% | 91.11% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 97.20% | 91.49% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 93.58% | 97.25% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 92.24% | 96.09% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 92.09% | 85.14% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 91.73% | 100.00% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 91.13% | 94.45% |
| CHEMBL1871 | P10275 | Androgen Receptor | 90.13% | 96.43% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 87.93% | 95.56% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 87.58% | 97.09% |
| CHEMBL2581 | P07339 | Cathepsin D | 86.78% | 98.95% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 85.96% | 99.23% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 85.73% | 95.89% |
| CHEMBL1937 | Q92769 | Histone deacetylase 2 | 85.43% | 94.75% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 85.35% | 86.33% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 85.08% | 92.62% |
| CHEMBL4026 | P40763 | Signal transducer and activator of transcription 3 | 84.90% | 82.69% |
| CHEMBL241 | Q14432 | Phosphodiesterase 3A | 84.17% | 92.94% |
| CHEMBL3713062 | P10646 | Tissue factor pathway inhibitor | 81.89% | 97.33% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 80.75% | 94.00% |
| CHEMBL4478 | Q00975 | Voltage-gated N-type calcium channel alpha-1B subunit | 80.41% | 97.14% |
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.
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| There are no matching plants. |
| PubChem | 163042983 |
| LOTUS | LTS0198298 |
| wikiData | Q105350601 |