8-Methyl-1,5-dimethylidene-8-(3,4,5-trihydroxyoxan-2-yl)oxy-3a,4,5a,6,7,8a,9,9a-octahydroazuleno[6,5-b]furan-2-one
| Internal ID | fcbdaca0-75b5-4294-90a5-d132720f17ee |
| Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Terpene lactones > Sesquiterpene lactones > Guaianolides and derivatives |
| IUPAC Name | 8-methyl-1,5-dimethylidene-8-(3,4,5-trihydroxyoxan-2-yl)oxy-3a,4,5a,6,7,8a,9,9a-octahydroazuleno[6,5-b]furan-2-one |
| SMILES (Canonical) | CC1(CCC2C1CC3C(CC2=C)OC(=O)C3=C)OC4C(C(C(CO4)O)O)O |
| SMILES (Isomeric) | CC1(CCC2C1CC3C(CC2=C)OC(=O)C3=C)OC4C(C(C(CO4)O)O)O |
| InChI | InChI=1S/C20H28O7/c1-9-6-15-12(10(2)18(24)26-15)7-13-11(9)4-5-20(13,3)27-19-17(23)16(22)14(21)8-25-19/h11-17,19,21-23H,1-2,4-8H2,3H3 |
| InChI Key | MIKLNTRXJYLFKM-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C20H28O7 |
| Molecular Weight | 380.40 g/mol |
| Exact Mass | 380.18350323 g/mol |
| Topological Polar Surface Area (TPSA) | 105.00 Ų |
| XlogP | 0.30 |
| There are no found synonyms. |
![2D Structure of 8-Methyl-1,5-dimethylidene-8-(3,4,5-trihydroxyoxan-2-yl)oxy-3a,4,5a,6,7,8a,9,9a-octahydroazuleno[6,5-b]furan-2-one](https://plantaedb.com/storage/docs/compounds/2023/11/66c17320-8410-11ee-8ece-9f9b7af89c1d.jpg "2D Structure of 8-Methyl-1,5-dimethylidene-8-(3,4,5-trihydroxyoxan-2-yl)oxy-3a,4,5a,6,7,8a,9,9a-octahydroazuleno[6,5-b]furan-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 | 96.13% | 91.11% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 94.20% | 85.14% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 93.15% | 97.25% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 90.13% | 97.09% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 89.74% | 96.09% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 86.01% | 99.23% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 85.20% | 95.89% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 85.05% | 100.00% |
| CHEMBL1907600 | Q00535 | Cyclin-dependent kinase 5/CDK5 activator 1 | 84.96% | 93.03% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 84.78% | 95.56% |
| CHEMBL4478 | Q00975 | Voltage-gated N-type calcium channel alpha-1B subunit | 83.35% | 97.14% |
| CHEMBL259 | P32245 | Melanocortin receptor 4 | 81.50% | 95.38% |
| CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 81.38% | 95.89% |
| CHEMBL3713062 | P10646 | Tissue factor pathway inhibitor | 81.34% | 97.33% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 81.15% | 94.45% |
| CHEMBL1902 | P62942 | FK506-binding protein 1A | 81.03% | 97.05% |
| CHEMBL1937 | Q92769 | Histone deacetylase 2 | 80.47% | 94.75% |
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.
| Helenium amarum |
| PubChem | 162922338 |
| LOTUS | LTS0251786 |
| wikiData | Q105165043 |