8-Hydroxy-8-methyl-1,5-dimethylidene-3a,4,5a,6,7,8a,9,9a-octahydroazuleno[6,5-b]furan-2-one
| Internal ID | f911ef4a-96cb-47ed-96ec-207916a031ff |
| Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Terpene lactones > Sesquiterpene lactones > Guaianolides and derivatives |
| IUPAC Name | 8-hydroxy-8-methyl-1,5-dimethylidene-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)O |
| SMILES (Isomeric) | CC1(CCC2C1CC3C(CC2=C)OC(=O)C3=C)O |
| InChI | InChI=1S/C15H20O3/c1-8-6-13-11(9(2)14(16)18-13)7-12-10(8)4-5-15(12,3)17/h10-13,17H,1-2,4-7H2,3H3 |
| InChI Key | GTYUWNQOOLJZBM-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C15H20O3 |
| Molecular Weight | 248.32 g/mol |
| Exact Mass | 248.14124450 g/mol |
| Topological Polar Surface Area (TPSA) | 46.50 Ų |
| XlogP | 1.80 |
| There are no found synonyms. |
![2D Structure of 8-Hydroxy-8-methyl-1,5-dimethylidene-3a,4,5a,6,7,8a,9,9a-octahydroazuleno[6,5-b]furan-2-one](https://plantaedb.com/storage/docs/compounds/2023/11/8-hydroxy-8-methyl-15-dimethylidene-3a45a678a99a-octahydroazuleno65-bfuran-2-one.jpg "2D Structure of 8-Hydroxy-8-methyl-1,5-dimethylidene-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 |
|---|---|---|---|---|
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 93.86% | 97.25% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 93.86% | 91.11% |
| CHEMBL2996 | Q05655 | Protein kinase C delta | 92.59% | 97.79% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 92.19% | 97.09% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 90.37% | 85.14% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 88.63% | 95.56% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 85.84% | 100.00% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 85.32% | 99.23% |
| CHEMBL217 | P14416 | Dopamine D2 receptor | 83.80% | 95.62% |
| CHEMBL1902 | P62942 | FK506-binding protein 1A | 83.72% | 97.05% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 83.48% | 96.09% |
| CHEMBL4478 | Q00975 | Voltage-gated N-type calcium channel alpha-1B subunit | 82.24% | 97.14% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 81.13% | 95.89% |
| CHEMBL3920 | Q04759 | Protein kinase C theta | 80.15% | 97.69% |
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.
| Apalochlamys spectabilis |
| Bedfordia arborescens |
| Chiliadenus candicans |
| Dittrichia graveolens |
| Dittrichia viscosa |
| Dittrichia viscosa subsp. viscosa |
| Geigeria aspera |
| Helichrysum dasyanthum |
| Stevia ovata |
| PubChem | 13817983 |
| LOTUS | LTS0185391 |
| wikiData | Q105019707 |