4-hydroxy-3-[4-hydroxy-3,6-dimethyl-4-(2-methylpropyl)-5-oxo-2,3-dihydro-1H-pentalen-3a-yl]-5-methylchromen-2-one
| Internal ID | be856a9a-ab87-4ec0-9df8-0e4e89e1c072 |
| Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Terpene lactones |
| IUPAC Name | 4-hydroxy-3-[4-hydroxy-3,6-dimethyl-4-(2-methylpropyl)-5-oxo-2,3-dihydro-1H-pentalen-3a-yl]-5-methylchromen-2-one |
| SMILES (Canonical) | CC1CCC2=C(C(=O)C(C12C3=C(C4=C(C=CC=C4OC3=O)C)O)(CC(C)C)O)C |
| SMILES (Isomeric) | CC1CCC2=C(C(=O)C(C12C3=C(C4=C(C=CC=C4OC3=O)C)O)(CC(C)C)O)C |
| InChI | InChI=1S/C24H28O5/c1-12(2)11-23(28)21(26)15(5)16-10-9-14(4)24(16,23)19-20(25)18-13(3)7-6-8-17(18)29-22(19)27/h6-8,12,14,25,28H,9-11H2,1-5H3 |
| InChI Key | LADSGMVXUXSTBY-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C24H28O5 |
| Molecular Weight | 396.50 g/mol |
| Exact Mass | 396.19367399 g/mol |
| Topological Polar Surface Area (TPSA) | 83.80 Ų |
| XlogP | 4.00 |
| There are no found synonyms. |
![2D Structure of 4-hydroxy-3-[4-hydroxy-3,6-dimethyl-4-(2-methylpropyl)-5-oxo-2,3-dihydro-1H-pentalen-3a-yl]-5-methylchromen-2-one](https://plantaedb.com/storage/docs/compounds/2023/11/30191940-85f4-11ee-a93d-bf12b85fd861.jpg "2D Structure of 4-hydroxy-3-[4-hydroxy-3,6-dimethyl-4-(2-methylpropyl)-5-oxo-2,3-dihydro-1H-pentalen-3a-yl]-5-methylchromen-2-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 |
|---|---|---|---|---|
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 98.79% | 91.11% |
| CHEMBL2581 | P07339 | Cathepsin D | 98.36% | 98.95% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 94.45% | 97.09% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 94.03% | 95.56% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 93.10% | 89.00% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 89.97% | 99.23% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 89.88% | 97.25% |
| CHEMBL1907 | P15144 | Aminopeptidase N | 89.06% | 93.31% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 87.70% | 93.56% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 86.92% | 90.71% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 86.30% | 95.89% |
| CHEMBL3130 | O00329 | PI3-kinase p110-delta subunit | 86.10% | 96.47% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 83.79% | 94.73% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 83.20% | 94.00% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 81.77% | 100.00% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 81.46% | 86.33% |
| CHEMBL5966 | P55899 | IgG receptor FcRn large subunit p51 | 81.05% | 90.93% |
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.
| Gypothamnium pinifolium |
| PubChem | 162909314 |
| LOTUS | LTS0176834 |
| wikiData | Q105148592 |