Dysidotronic acid
| Internal ID | ff45e97f-9f14-44e9-a6a7-9c4903e041be |
| Taxonomy | Organoheterocyclic compounds > Dihydrofurans > Furanones > Butenolides |
| IUPAC Name | 4-[2-[(1R,2R,4aS,8aS)-1,2,4a,5-tetramethyl-1,3,4,7,8,8a-hexahydronaphthalen-2-yl]acetyl]-2-hydroxy-3-methoxy-2H-furan-5-one |
| SMILES (Canonical) | CC1C2CCC=C(C2(CCC1(C)CC(=O)C3=C(C(OC3=O)O)OC)C)C |
| SMILES (Isomeric) | C[C@@H]1[C@@H]2CCC=C([C@]2(CC[C@]1(C)CC(=O)C3=C(C(OC3=O)O)OC)C)C |
| InChI | InChI=1S/C21H30O5/c1-12-7-6-8-14-13(2)20(3,9-10-21(12,14)4)11-15(22)16-17(25-5)19(24)26-18(16)23/h7,13-14,19,24H,6,8-11H2,1-5H3/t13-,14+,19?,20-,21-/m1/s1 |
| InChI Key | QKDLAKAAFFCMSG-YTHIKUODSA-N |
| Popularity | 1 reference in papers |
| Molecular Formula | C21H30O5 |
| Molecular Weight | 362.50 g/mol |
| Exact Mass | 362.20932405 g/mol |
| Topological Polar Surface Area (TPSA) | 72.80 Ų |
| XlogP | 3.70 |
| 4-[2-[(1R,2R,4aS,8aS)-1,2,4a,5-tetramethyl-1,3,4,7,8,8a-hexahydronaphthalen-2-yl]acetyl]-2-hydroxy-3-methoxy-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 |
|---|---|---|---|---|
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 97.04% | 97.25% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 96.98% | 96.09% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 95.09% | 91.11% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 92.50% | 97.09% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 89.64% | 95.56% |
| CHEMBL2581 | P07339 | Cathepsin D | 86.46% | 98.95% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 86.33% | 86.33% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 85.89% | 99.23% |
| CHEMBL2007 | P16234 | Platelet-derived growth factor receptor alpha | 82.19% | 91.07% |
| CHEMBL4481 | P35228 | Nitric oxide synthase, inducible | 81.22% | 94.80% |
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.
| There are no matching plants. |
| PubChem | 10044199 |
| LOTUS | LTS0227965 |
| wikiData | Q105223025 |