15-(5,6-Dimethylheptan-2-yl)-18-hydroxy-2,16-dimethyl-8-oxatetracyclo[9.7.0.03,9.012,16]octadeca-2,4-dien-7-one
| Internal ID | e2c8f006-8363-43ff-90ee-a08e7757e515 |
| Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Terpene lactones |
| IUPAC Name | 15-(5,6-dimethylheptan-2-yl)-18-hydroxy-2,16-dimethyl-8-oxatetracyclo[9.7.0.03,9.012,16]octadeca-2,4-dien-7-one |
| SMILES (Canonical) | CC1=C2C=CCC(=O)OC2CC3C1C(CC4(C3CCC4C(C)CCC(C)C(C)C)C)O |
| SMILES (Isomeric) | CC1=C2C=CCC(=O)OC2CC3C1C(CC4(C3CCC4C(C)CCC(C)C(C)C)C)O |
| InChI | InChI=1S/C28H44O3/c1-16(2)17(3)10-11-18(4)22-12-13-23-21-14-25-20(8-7-9-26(30)31-25)19(5)27(21)24(29)15-28(22,23)6/h7-8,16-18,21-25,27,29H,9-15H2,1-6H3 |
| InChI Key | NUVFVNRHFVZPCE-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C28H44O3 |
| Molecular Weight | 428.60 g/mol |
| Exact Mass | 428.32904526 g/mol |
| Topological Polar Surface Area (TPSA) | 46.50 Ų |
| XlogP | 6.70 |
| There are no found synonyms. |
![2D Structure of 15-(5,6-Dimethylheptan-2-yl)-18-hydroxy-2,16-dimethyl-8-oxatetracyclo[9.7.0.03,9.012,16]octadeca-2,4-dien-7-one](https://plantaedb.com/storage/docs/compounds/2023/11/53bb6d80-8744-11ee-ada3-574e60e468c4.jpg "2D Structure of 15-(5,6-Dimethylheptan-2-yl)-18-hydroxy-2,16-dimethyl-8-oxatetracyclo[9.7.0.03,9.012,16]octadeca-2,4-dien-7-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 |
|---|---|---|---|---|
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 94.10% | 96.09% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 92.20% | 97.25% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 91.97% | 91.11% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 91.37% | 95.56% |
| CHEMBL2581 | P07339 | Cathepsin D | 89.49% | 98.95% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 89.16% | 97.09% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 86.26% | 100.00% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 85.75% | 85.14% |
| CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 85.48% | 95.89% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 85.30% | 90.71% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 84.47% | 94.45% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 84.15% | 89.00% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 84.14% | 99.23% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 83.75% | 94.73% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 80.06% | 95.89% |
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.
| Citrus maxima |
| PubChem | 73836026 |
| LOTUS | LTS0204895 |
| wikiData | Q105131809 |