Alloalantolactone
| Internal ID | 187413b7-87de-4a83-809c-f192b751b551 |
| Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Terpene lactones > Sesquiterpene lactones > Eudesmanolides, secoeudesmanolides, and derivatives |
| IUPAC Name | (3aR,8aR,9aR)-5,8a-dimethyl-3-methylidene-4,6,7,8,9,9a-hexahydro-3aH-benzo[f][1]benzofuran-2-one |
| SMILES (Canonical) | CC1=C2CC3C(CC2(CCC1)C)OC(=O)C3=C |
| SMILES (Isomeric) | CC1=C2C[C@H]3[C@@H](C[C@]2(CCC1)C)OC(=O)C3=C |
| InChI | InChI=1S/C15H20O2/c1-9-5-4-6-15(3)8-13-11(7-12(9)15)10(2)14(16)17-13/h11,13H,2,4-8H2,1,3H3/t11-,13-,15-/m1/s1 |
| InChI Key | OTDVFDVEFZSECW-UXIGCNINSA-N |
| Popularity | 3 references in papers |
| Molecular Formula | C15H20O2 |
| Molecular Weight | 232.32 g/mol |
| Exact Mass | 232.146329876 g/mol |
| Topological Polar Surface Area (TPSA) | 26.30 Ų |
| XlogP | 3.00 |
| 64340-41-6 |
| (3aR,8aR,9aR)-5,8a-Dimethyl-3-methylene-3a,4,6,7,8,8a,9,9a-octahydro-3H-naphtho(2,3-b)furan-2-one |
| Naphtho[2,3-b]furan-2(3H)-one,3a,4,6,7,8,8a,9,9a-octahydro-5,8a-dimethyl-3-methylene-, (3aR,8aR,9aR)- |
| (3aR,8aR,9aR)-5,8a-Dimethyl-3-methylene-3a,4,6,7,8,8a,9,9a-octahydro-3H-naphtho[2,3-b]furan-2-one |
| (3aR,8aR,9aR)-5,8a-dimethyl-3-methylidene-4,6,7,8,9,9a-hexahydro-3aH-benzo[f][1]benzofuran-2-one |
| CHEMBL2332655 |
| DTXSID30982885 |
| CHEBI:192145 |
| AKOS040734598 |
| FS-7439 |
| There are more than 10 synonyms. If you wish to see them all click here. |
| 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 |
|---|---|---|---|---|
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 93.32% | 95.56% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 91.98% | 97.25% |
| CHEMBL1907600 | Q00535 | Cyclin-dependent kinase 5/CDK5 activator 1 | 91.55% | 93.03% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 90.37% | 91.11% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 88.39% | 94.45% |
| CHEMBL1902 | P62942 | FK506-binding protein 1A | 86.48% | 97.05% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 86.00% | 99.23% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 85.72% | 97.09% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 85.47% | 86.33% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 83.96% | 85.14% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 83.20% | 100.00% |
| CHEMBL299 | P17252 | Protein kinase C alpha | 82.76% | 98.03% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 82.30% | 95.89% |
| CHEMBL2094127 | P06493 | Cyclin-dependent kinase 1/cyclin B | 82.26% | 96.00% |
| CHEMBL3091268 | Q92753 | Nuclear receptor ROR-beta | 81.83% | 95.50% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 81.69% | 94.00% |
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.
| Geigeria aspera |
| Inula helenium |
| Inula racemosa |
| Rudbeckia subtomentosa |
| Ursinia eckloniana |
| Zinnia elegans |
| PubChem | 474518 |
| LOTUS | LTS0092892 |
| wikiData | Q82969738 |