3-[2-[2,3-dihydroxy-1,2,4a,5-tetramethyl-4-[(2-propan-2-yloxiran-2-yl)methoxy]-4,7,8,8a-tetrahydro-3H-naphthalen-1-yl]ethenyl]-2H-furan-5-one
| Internal ID | 88e00c43-2df4-48d8-9dee-ac4c7b1eed29 |
| Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Terpene lactones > Diterpene lactones |
| IUPAC Name | 3-[2-[2,3-dihydroxy-1,2,4a,5-tetramethyl-4-[(2-propan-2-yloxiran-2-yl)methoxy]-4,7,8,8a-tetrahydro-3H-naphthalen-1-yl]ethenyl]-2H-furan-5-one |
| SMILES (Canonical) | CC1=CCCC2C1(C(C(C(C2(C)C=CC3=CC(=O)OC3)(C)O)O)OCC4(CO4)C(C)C)C |
| SMILES (Isomeric) | CC1=CCCC2C1(C(C(C(C2(C)C=CC3=CC(=O)OC3)(C)O)O)OCC4(CO4)C(C)C)C |
| InChI | InChI=1S/C26H38O6/c1-16(2)26(15-32-26)14-31-22-21(28)25(6,29)23(4,11-10-18-12-20(27)30-13-18)19-9-7-8-17(3)24(19,22)5/h8,10-12,16,19,21-22,28-29H,7,9,13-15H2,1-6H3 |
| InChI Key | NGUVWBLUCWXCNS-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C26H38O6 |
| Molecular Weight | 446.60 g/mol |
| Exact Mass | 446.26683893 g/mol |
| Topological Polar Surface Area (TPSA) | 88.50 Ų |
| XlogP | 2.70 |
| There are no found synonyms. |
![2D Structure of 3-[2-[2,3-dihydroxy-1,2,4a,5-tetramethyl-4-[(2-propan-2-yloxiran-2-yl)methoxy]-4,7,8,8a-tetrahydro-3H-naphthalen-1-yl]ethenyl]-2H-furan-5-one](https://plantaedb.com/storage/docs/compounds/2023/11/842cf750-860a-11ee-be82-db1fea0aa1bf.jpg "2D Structure of 3-[2-[2,3-dihydroxy-1,2,4a,5-tetramethyl-4-[(2-propan-2-yloxiran-2-yl)methoxy]-4,7,8,8a-tetrahydro-3H-naphthalen-1-yl]ethenyl]-2H-furan-5-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 | 97.46% | 91.11% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 96.38% | 94.45% |
| CHEMBL2581 | P07339 | Cathepsin D | 95.56% | 98.95% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 93.66% | 97.25% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 92.34% | 100.00% |
| CHEMBL1937 | Q92769 | Histone deacetylase 2 | 91.81% | 94.75% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 91.16% | 97.09% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 90.81% | 95.56% |
| CHEMBL3130 | O00329 | PI3-kinase p110-delta subunit | 90.76% | 96.47% |
| CHEMBL4005 | P42336 | PI3-kinase p110-alpha subunit | 90.58% | 97.47% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 89.15% | 96.09% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 88.07% | 86.33% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 87.15% | 89.00% |
| CHEMBL3310 | Q96DB2 | Histone deacetylase 11 | 85.08% | 88.56% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 83.69% | 96.00% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 82.54% | 99.23% |
| CHEMBL3807 | P17706 | T-cell protein-tyrosine phosphatase | 82.10% | 93.00% |
| CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 81.61% | 95.89% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 81.57% | 95.89% |
| CHEMBL5697 | Q9GZT9 | Egl nine homolog 1 | 81.47% | 93.40% |
| CHEMBL5103 | Q969S8 | Histone deacetylase 10 | 81.31% | 90.08% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 81.12% | 93.56% |
| CHEMBL4303 | P08238 | Heat shock protein HSP 90-beta | 80.98% | 96.77% |
| CHEMBL2007 | P16234 | Platelet-derived growth factor receptor alpha | 80.00% | 91.07% |
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.
| Scutellaria barbata |
| PubChem | 162959093 |
| LOTUS | LTS0133906 |
| wikiData | Q105179209 |