(7-Formyl-19-methoxy-1,7,11,16,20,20-hexamethyl-8-pentacyclo[13.8.0.03,12.06,11.016,21]tricos-3-enyl) acetate
| Internal ID | cc201d15-bd41-4c80-88d5-8a028f5ed829 |
| Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Triterpenoids |
| IUPAC Name | (7-formyl-19-methoxy-1,7,11,16,20,20-hexamethyl-8-pentacyclo[13.8.0.03,12.06,11.016,21]tricos-3-enyl) acetate |
| SMILES (Canonical) | CC(=O)OC1CCC2(C3CCC4C(CCC5C4(CCC(C5(C)C)OC)C)(CC3=CCC2C1(C)C=O)C)C |
| SMILES (Isomeric) | CC(=O)OC1CCC2(C3CCC4C(CCC5C4(CCC(C5(C)C)OC)C)(CC3=CCC2C1(C)C=O)C)C |
| InChI | InChI=1S/C33H52O4/c1-21(35)37-28-15-17-31(5)23-10-12-25-30(4,19-22(23)9-11-26(31)33(28,7)20-34)16-13-24-29(2,3)27(36-8)14-18-32(24,25)6/h9,20,23-28H,10-19H2,1-8H3 |
| InChI Key | UNQSEULMISZTOV-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C33H52O4 |
| Molecular Weight | 512.80 g/mol |
| Exact Mass | 512.38656014 g/mol |
| Topological Polar Surface Area (TPSA) | 52.60 Ų |
| XlogP | 7.30 |
| There are no found synonyms. |
![2D Structure of (7-Formyl-19-methoxy-1,7,11,16,20,20-hexamethyl-8-pentacyclo[13.8.0.03,12.06,11.016,21]tricos-3-enyl) acetate](https://plantaedb.com/storage/docs/compounds/2023/11/0e3feae0-8576-11ee-9be0-bb40bb5e6049.jpg "2D Structure of (7-Formyl-19-methoxy-1,7,11,16,20,20-hexamethyl-8-pentacyclo[13.8.0.03,12.06,11.016,21]tricos-3-enyl) acetate")
| 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 |
|---|---|---|---|---|
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 97.56% | 96.09% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 95.11% | 94.45% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 93.13% | 91.11% |
| CHEMBL4224 | P49759 | Dual specificty protein kinase CLK1 | 90.68% | 85.30% |
| CHEMBL4040 | P28482 | MAP kinase ERK2 | 89.39% | 83.82% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 89.19% | 95.89% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 87.11% | 95.56% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 86.66% | 97.25% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 84.99% | 97.09% |
| CHEMBL241 | Q14432 | Phosphodiesterase 3A | 83.75% | 92.94% |
| CHEMBL1937 | Q92769 | Histone deacetylase 2 | 83.23% | 94.75% |
| CHEMBL3807 | P17706 | T-cell protein-tyrosine phosphatase | 82.25% | 93.00% |
| CHEMBL5028 | O14672 | ADAM10 | 82.16% | 97.50% |
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.
| Pinus armandii |
| PubChem | 162887306 |
| LOTUS | LTS0066758 |
| wikiData | Q105276105 |