(1S,6R,7S,11R,12S,15S,16R,19S,21R)-19-methoxy-1,7,11,16,20,20-hexamethyl-8-oxopentacyclo[13.8.0.03,12.06,11.016,21]tricos-3-ene-7-carbaldehyde
| Internal ID | bab1e5c6-369f-4da6-83bb-3b7d282923bd |
| Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Triterpenoids |
| IUPAC Name | (1S,6R,7S,11R,12S,15S,16R,19S,21R)-19-methoxy-1,7,11,16,20,20-hexamethyl-8-oxopentacyclo[13.8.0.03,12.06,11.016,21]tricos-3-ene-7-carbaldehyde |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C31H48O3/c1-27(2)22-12-15-28(3)18-20-8-10-24-29(4,16-13-25(33)31(24,6)19-32)21(20)9-11-23(28)30(22,5)17-14-26(27)34-7/h8,19,21-24,26H,9-18H2,1-7H3/t21-,22-,23-,24+,26-,28-,29+,30-,31+/m0/s1 |
| InChI Key | ZXOSMGNNWJODHY-JOZDGMMTSA-N |
| Popularity | 2 references in papers |
| Molecular Formula | C31H48O3 |
| Molecular Weight | 468.70 g/mol |
| Exact Mass | 468.36034539 g/mol |
| Topological Polar Surface Area (TPSA) | 43.40 Ų |
| XlogP | 6.90 |
| There are no found synonyms. |
![2D Structure of (1S,6R,7S,11R,12S,15S,16R,19S,21R)-19-methoxy-1,7,11,16,20,20-hexamethyl-8-oxopentacyclo[13.8.0.03,12.06,11.016,21]tricos-3-ene-7-carbaldehyde](https://plantaedb.com/storage/docs/compounds/2023/11/4502cd40-84a7-11ee-9db2-65e249b7f7c9.jpg "2D Structure of (1S,6R,7S,11R,12S,15S,16R,19S,21R)-19-methoxy-1,7,11,16,20,20-hexamethyl-8-oxopentacyclo[13.8.0.03,12.06,11.016,21]tricos-3-ene-7-carbaldehyde")
| 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 | 99.32% | 83.82% |
| CHEMBL4224 | P49759 | Dual specificty protein kinase CLK1 | 96.98% | 85.30% |
| CHEMBL1937 | Q92769 | Histone deacetylase 2 | 96.73% | 94.75% |
| CHEMBL3524 | P56524 | Histone deacetylase 4 | 92.22% | 92.97% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 91.78% | 91.11% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 91.76% | 95.56% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 90.42% | 94.45% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 90.21% | 97.25% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 89.99% | 96.09% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 89.28% | 95.89% |
| CHEMBL4145 | Q9UKV0 | Histone deacetylase 9 | 86.41% | 85.49% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 86.40% | 97.09% |
| CHEMBL241 | Q14432 | Phosphodiesterase 3A | 86.07% | 92.94% |
| CHEMBL4685 | P14902 | Indoleamine 2,3-dioxygenase | 84.76% | 96.38% |
| CHEMBL5697 | Q9GZT9 | Egl nine homolog 1 | 84.74% | 93.40% |
| CHEMBL325 | Q13547 | Histone deacetylase 1 | 83.99% | 95.92% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 81.78% | 86.33% |
| CHEMBL2581 | P07339 | Cathepsin D | 81.32% | 98.95% |
| CHEMBL4026 | P40763 | Signal transducer and activator of transcription 3 | 81.03% | 82.69% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 80.83% | 92.62% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 80.76% | 100.00% |
| CHEMBL3820 | P35557 | Hexokinase type IV | 80.69% | 91.96% |
| CHEMBL3713062 | P10646 | Tissue factor pathway inhibitor | 80.60% | 97.33% |
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 | 162961973 |
| LOTUS | LTS0049985 |
| wikiData | Q105385654 |