12-[(3-Hydroxy-2,6,10-trimethyl-10-tricyclo[6.3.0.03,6]undec-1-enyl)methoxy]-5,5-dimethyl-10-oxo-11-oxatetracyclo[7.3.1.01,9.03,7]tridec-2-ene-2-carbaldehyde
| Internal ID | 89b0c048-f9d2-4973-9cf4-e8d8ecb5e913 |
| Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Terpene lactones |
| IUPAC Name | 12-[(3-hydroxy-2,6,10-trimethyl-10-tricyclo[6.3.0.03,6]undec-1-enyl)methoxy]-5,5-dimethyl-10-oxo-11-oxatetracyclo[7.3.1.01,9.03,7]tridec-2-ene-2-carbaldehyde |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C30H40O5/c1-17-20-13-26(4,9-19(20)10-27(5)6-7-30(17,27)33)16-34-24-29-15-28(29,23(32)35-24)11-18-8-25(2,3)12-21(18)22(29)14-31/h14,18-19,24,33H,6-13,15-16H2,1-5H3 |
| InChI Key | JVSGWCCMXPFMRE-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C30H40O5 |
| Molecular Weight | 480.60 g/mol |
| Exact Mass | 480.28757437 g/mol |
| Topological Polar Surface Area (TPSA) | 72.80 Ų |
| XlogP | 3.10 |
| There are no found synonyms. |
![2D Structure of 12-[(3-Hydroxy-2,6,10-trimethyl-10-tricyclo[6.3.0.03,6]undec-1-enyl)methoxy]-5,5-dimethyl-10-oxo-11-oxatetracyclo[7.3.1.01,9.03,7]tridec-2-ene-2-carbaldehyde](https://plantaedb.com/storage/docs/compounds/2023/11/2fdf75a0-86cc-11ee-bf51-cb68a0050c4f.jpg "2D Structure of 12-[(3-Hydroxy-2,6,10-trimethyl-10-tricyclo[6.3.0.03,6]undec-1-enyl)methoxy]-5,5-dimethyl-10-oxo-11-oxatetracyclo[7.3.1.01,9.03,7]tridec-2-ene-2-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 |
|---|---|---|---|---|
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 94.79% | 96.09% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 93.48% | 95.56% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 88.52% | 94.45% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 86.41% | 97.09% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 86.34% | 86.33% |
| CHEMBL3572 | P11597 | Cholesteryl ester transfer protein | 85.69% | 92.67% |
| CHEMBL241 | Q14432 | Phosphodiesterase 3A | 85.36% | 92.94% |
| CHEMBL3713062 | P10646 | Tissue factor pathway inhibitor | 85.08% | 97.33% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 83.45% | 95.89% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 83.41% | 92.62% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 83.01% | 100.00% |
| CHEMBL2007 | P16234 | Platelet-derived growth factor receptor alpha | 82.81% | 91.07% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 82.61% | 97.25% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 82.22% | 91.11% |
| CHEMBL3145 | P42338 | PI3-kinase p110-beta subunit | 82.13% | 98.75% |
| CHEMBL4478 | Q00975 | Voltage-gated N-type calcium channel alpha-1B subunit | 80.59% | 97.14% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 80.46% | 89.00% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 80.19% | 85.14% |
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.
To see more specific details click the taxa you are interested in.
| There are no matching plants. |
| PubChem | 72681723 |
| LOTUS | LTS0060870 |
| wikiData | Q104169915 |