7alpha,11alpha-Dihydroxy-4(13),8-coloratadien-12,11-olide
| Internal ID | cfee480b-d833-4f96-b5b4-798e9579d11b |
| Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Terpene lactones |
| IUPAC Name | (1R,4R,5aS,7S,9aS)-1,4-dihydroxy-7,9a-dimethyl-6-methylidene-4,5,5a,7,8,9-hexahydro-1H-benzo[e][2]benzofuran-3-one |
| SMILES (Canonical) | CC1CCC2(C(C1=C)CC(C3=C2C(OC3=O)O)O)C |
| SMILES (Isomeric) | C[C@H]1CC[C@]2([C@H](C1=C)C[C@H](C3=C2[C@@H](OC3=O)O)O)C |
| InChI | InChI=1S/C15H20O4/c1-7-4-5-15(3)9(8(7)2)6-10(16)11-12(15)14(18)19-13(11)17/h7,9-10,14,16,18H,2,4-6H2,1,3H3/t7-,9-,10+,14+,15-/m0/s1 |
| InChI Key | RKXFCMNFPWEQDW-AKHPIHOKSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C15H20O4 |
| Molecular Weight | 264.32 g/mol |
| Exact Mass | 264.13615911 g/mol |
| Topological Polar Surface Area (TPSA) | 66.80 Ų |
| XlogP | 1.10 |
| CHEBI:187286 |
| LMPR0103380001 |
| (1R,4R,5aS,7S,9aS)-1,4-dihydroxy-7,9a-dimethyl-6-methylidene-4,5,5a,7,8,9-hexahydro-1H-benzo[e][2]benzouran-3-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 | 91.70% | 97.25% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 90.99% | 91.11% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 89.97% | 97.09% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 86.46% | 99.23% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 86.15% | 95.56% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 84.47% | 100.00% |
| CHEMBL1907600 | Q00535 | Cyclin-dependent kinase 5/CDK5 activator 1 | 84.44% | 93.03% |
| CHEMBL1937 | Q92769 | Histone deacetylase 2 | 83.46% | 94.75% |
| CHEMBL4026 | P40763 | Signal transducer and activator of transcription 3 | 82.89% | 82.69% |
| CHEMBL241 | Q14432 | Phosphodiesterase 3A | 80.27% | 92.94% |
| CHEMBL4478 | Q00975 | Voltage-gated N-type calcium channel alpha-1B subunit | 80.22% | 97.14% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 80.11% | 91.49% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 80.10% | 94.45% |
| CHEMBL1902 | P62942 | FK506-binding protein 1A | 80.02% | 97.05% |
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.
| Discopodium penninervium |
| PubChem | 42608152 |
| LOTUS | LTS0133455 |
| wikiData | Q76535283 |