19-Methoxy-3,7,7,11,16,20,20-heptamethylpentacyclo[13.8.0.03,12.06,11.016,21]tricos-1(23)-en-8-one
| Internal ID | 7b705ee2-86c1-4168-8de4-7aa9c258d789 |
| Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Triterpenoids |
| IUPAC Name | 19-methoxy-3,7,7,11,16,20,20-heptamethylpentacyclo[13.8.0.03,12.06,11.016,21]tricos-1(23)-en-8-one |
| SMILES (Canonical) | CC1(C2CCC3(CC4=CCC5C(C(CCC5(C4CCC3C2(CCC1=O)C)C)OC)(C)C)C)C |
| SMILES (Isomeric) | CC1(C2CCC3(CC4=CCC5C(C(CCC5(C4CCC3C2(CCC1=O)C)C)OC)(C)C)C)C |
| InChI | InChI=1S/C31H50O2/c1-27(2)23-13-16-29(5)19-20-9-11-22-28(3,4)26(33-8)15-18-30(22,6)21(20)10-12-24(29)31(23,7)17-14-25(27)32/h9,21-24,26H,10-19H2,1-8H3 |
| InChI Key | LQSRLOCKTIDATA-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C31H50O2 |
| Molecular Weight | 454.70 g/mol |
| Exact Mass | 454.381080833 g/mol |
| Topological Polar Surface Area (TPSA) | 26.30 Ų |
| XlogP | 7.80 |
| There are no found synonyms. |
![2D Structure of 19-Methoxy-3,7,7,11,16,20,20-heptamethylpentacyclo[13.8.0.03,12.06,11.016,21]tricos-1(23)-en-8-one](https://plantaedb.com/storage/docs/compounds/2023/11/19-methoxy-37711162020-heptamethylpentacyclo13800312061101621tricos-123-en-8-one.jpg "2D Structure of 19-Methoxy-3,7,7,11,16,20,20-heptamethylpentacyclo[13.8.0.03,12.06,11.016,21]tricos-1(23)-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 |
|---|---|---|---|---|
| CHEMBL4224 | P49759 | Dual specificty protein kinase CLK1 | 97.69% | 85.30% |
| CHEMBL1937 | Q92769 | Histone deacetylase 2 | 95.55% | 94.75% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 94.03% | 96.09% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 89.77% | 97.09% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 89.26% | 95.89% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 88.76% | 91.11% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 88.37% | 97.25% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 87.49% | 94.45% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 86.91% | 94.00% |
| CHEMBL4040 | P28482 | MAP kinase ERK2 | 86.18% | 83.82% |
| CHEMBL241 | Q14432 | Phosphodiesterase 3A | 85.40% | 92.94% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 84.72% | 95.56% |
| CHEMBL3524 | P56524 | Histone deacetylase 4 | 83.57% | 92.97% |
| CHEMBL4685 | P14902 | Indoleamine 2,3-dioxygenase | 82.22% | 96.38% |
| CHEMBL2581 | P07339 | Cathepsin D | 81.39% | 98.95% |
| CHEMBL4026 | P40763 | Signal transducer and activator of transcription 3 | 80.74% | 82.69% |
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 |
| PubChem | 14830062 |
| LOTUS | LTS0006351 |
| wikiData | Q105155765 |