4,7,8-Trihydroxy-12-[7-[3-(3-hydroxypentan-2-yl)oxiran-2-yl]-6-methylhepta-2,4-dien-2-yl]-7,11-dimethyl-oxacyclododecan-2-one
| Internal ID | 67c08ff3-61e2-452d-b6f6-6ac272a9f93b |
| Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Terpene lactones > Diterpene lactones |
| IUPAC Name | 4,7,8-trihydroxy-12-[7-[3-(3-hydroxypentan-2-yl)oxiran-2-yl]-6-methylhepta-2,4-dien-2-yl]-7,11-dimethyl-oxacyclododecan-2-one |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C28H48O7/c1-7-22(30)20(5)27-23(34-27)15-17(2)9-8-10-18(3)26-19(4)11-12-24(31)28(6,33)14-13-21(29)16-25(32)35-26/h8-10,17,19-24,26-27,29-31,33H,7,11-16H2,1-6H3 |
| InChI Key | BKRRCBIYORMPBI-UHFFFAOYSA-N |
| Popularity | 2 references in papers |
| Molecular Formula | C28H48O7 |
| Molecular Weight | 496.70 g/mol |
| Exact Mass | 496.34000387 g/mol |
| Topological Polar Surface Area (TPSA) | 120.00 Ų |
| XlogP | 4.00 |
| There are no found synonyms. |
![2D Structure of 4,7,8-Trihydroxy-12-[7-[3-(3-hydroxypentan-2-yl)oxiran-2-yl]-6-methylhepta-2,4-dien-2-yl]-7,11-dimethyl-oxacyclododecan-2-one](https://plantaedb.com/storage/docs/compounds/2023/11/4d4abf40-8690-11ee-956c-85ac3aaf16cc.jpg "2D Structure of 4,7,8-Trihydroxy-12-[7-[3-(3-hydroxypentan-2-yl)oxiran-2-yl]-6-methylhepta-2,4-dien-2-yl]-7,11-dimethyl-oxacyclododecan-2-one")
| Target | Value | Probability (raw) | Probability (%) |
|---|---|---|---|
| No predicted properties yet! | |||
Proven Targets:
| CHEMBL ID | UniProt ID | Name | Min activity | Assay type | Source |
|---|---|---|---|---|---|
| CHEMBL1250378 | Q15393 | Splicing factor 3B subunit 3 |
307.7 nM |
IC50 |
via Super-PRED
|
Predicted Targets (via Super-PRED):
| CHEMBL ID | UniProt ID | Name | Probability | Model accuracy |
|---|---|---|---|---|
| CHEMBL2581 | P07339 | Cathepsin D | 98.39% | 98.95% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 97.09% | 97.25% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 95.13% | 91.11% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 93.09% | 96.09% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 91.39% | 93.56% |
| CHEMBL4227 | P25090 | Lipoxin A4 receptor | 91.31% | 100.00% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 88.52% | 89.00% |
| CHEMBL255 | P29275 | Adenosine A2b receptor | 86.91% | 98.59% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 86.23% | 95.56% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 86.22% | 97.09% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 85.32% | 100.00% |
| CHEMBL2274 | Q9H228 | Sphingosine 1-phosphate receptor Edg-8 | 84.90% | 100.00% |
| CHEMBL4685 | P14902 | Indoleamine 2,3-dioxygenase | 84.85% | 96.38% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 84.64% | 95.89% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 84.35% | 94.45% |
| CHEMBL1977 | P11473 | Vitamin D receptor | 84.31% | 99.43% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 83.63% | 86.33% |
| CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 83.44% | 95.89% |
| CHEMBL2996 | Q05655 | Protein kinase C delta | 83.06% | 97.79% |
| CHEMBL4481 | P35228 | Nitric oxide synthase, inducible | 82.47% | 94.80% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 82.45% | 99.17% |
| CHEMBL3830 | Q2M2I8 | Adaptor-associated kinase | 81.93% | 83.10% |
| CHEMBL3145 | P42338 | PI3-kinase p110-beta subunit | 81.44% | 98.75% |
| CHEMBL5163 | Q9NY46 | Sodium channel protein type III alpha subunit | 81.30% | 96.90% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 81.19% | 90.71% |
| CHEMBL4588 | P22894 | Matrix metalloproteinase 8 | 80.67% | 94.66% |
| CHEMBL2514 | O95665 | Neurotensin receptor 2 | 80.20% | 100.00% |
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 | 75968086 |
| LOTUS | LTS0059998 |
| wikiData | Q104937752 |