19-Methoxy-1,7,11,16,20,20-hexamethylpentacyclo[13.8.0.03,12.06,11.016,21]tricos-3-en-8-one
| Internal ID | f14b48ba-c12a-406b-a6f0-8f7f7535f549 |
| Taxonomy | Organic oxygen compounds > Organooxygen compounds > Carbonyl compounds > Cyclic ketones |
| IUPAC Name | 19-methoxy-1,7,11,16,20,20-hexamethylpentacyclo[13.8.0.03,12.06,11.016,21]tricos-3-en-8-one |
| SMILES (Canonical) | CC1C2CC=C3CC4(CCC5C(C(CCC5(C4CCC3C2(CCC1=O)C)C)OC)(C)C)C |
| SMILES (Isomeric) | CC1C2CC=C3CC4(CCC5C(C(CCC5(C4CCC3C2(CCC1=O)C)C)OC)(C)C)C |
| InChI | InChI=1S/C30H48O2/c1-19-21-9-8-20-18-28(4)15-13-24-27(2,3)26(32-7)14-17-30(24,6)25(28)11-10-22(20)29(21,5)16-12-23(19)31/h8,19,21-22,24-26H,9-18H2,1-7H3 |
| InChI Key | RYDDERUCYQVBPM-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C30H48O2 |
| Molecular Weight | 440.70 g/mol |
| Exact Mass | 440.365430770 g/mol |
| Topological Polar Surface Area (TPSA) | 26.30 Ų |
| XlogP | 7.40 |
| There are no found synonyms. |
![2D Structure of 19-Methoxy-1,7,11,16,20,20-hexamethylpentacyclo[13.8.0.03,12.06,11.016,21]tricos-3-en-8-one](https://plantaedb.com/storage/docs/compounds/2023/11/19-methoxy-1711162020-hexamethylpentacyclo13800312061101621tricos-3-en-8-one.jpg "2D Structure of 19-Methoxy-1,7,11,16,20,20-hexamethylpentacyclo[13.8.0.03,12.06,11.016,21]tricos-3-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 |
|---|---|---|---|---|
| CHEMBL4040 | P28482 | MAP kinase ERK2 | 97.16% | 83.82% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 96.80% | 97.25% |
| CHEMBL4224 | P49759 | Dual specificty protein kinase CLK1 | 95.37% | 85.30% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 94.55% | 96.09% |
| CHEMBL1937 | Q92769 | Histone deacetylase 2 | 93.86% | 94.75% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 89.88% | 95.89% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 89.23% | 91.11% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 89.20% | 97.09% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 87.10% | 95.56% |
| CHEMBL241 | Q14432 | Phosphodiesterase 3A | 86.80% | 92.94% |
| CHEMBL1871 | P10275 | Androgen Receptor | 85.22% | 96.43% |
| CHEMBL1902 | P62942 | FK506-binding protein 1A | 85.07% | 97.05% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 84.64% | 94.45% |
| CHEMBL3524 | P56524 | Histone deacetylase 4 | 84.06% | 92.97% |
| CHEMBL4478 | Q00975 | Voltage-gated N-type calcium channel alpha-1B subunit | 83.98% | 97.14% |
| CHEMBL5697 | Q9GZT9 | Egl nine homolog 1 | 83.91% | 93.40% |
| CHEMBL2581 | P07339 | Cathepsin D | 83.54% | 98.95% |
| CHEMBL5255 | O00206 | Toll-like receptor 4 | 83.02% | 92.50% |
| CHEMBL4303 | P08238 | Heat shock protein HSP 90-beta | 82.82% | 96.77% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 82.64% | 86.33% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 82.17% | 100.00% |
| CHEMBL3192 | Q9BY41 | Histone deacetylase 8 | 81.64% | 93.99% |
| CHEMBL325 | Q13547 | Histone deacetylase 1 | 81.29% | 95.92% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 81.01% | 94.00% |
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.
| Picea jezoensis |
| Pinus armandii |
| PubChem | 73821075 |
| LOTUS | LTS0227500 |
| wikiData | Q105247491 |