Varioxiranediol A
| Internal ID | 81faad7f-1310-42fb-802b-3250c44ab4c3 |
| Taxonomy | Organoheterocyclic compounds > Isocoumarans |
| IUPAC Name | (2R,3S)-1-[(1R)-4-methoxy-1,3-dihydro-2-benzofuran-1-yl]hexane-2,3-diol |
| SMILES (Canonical) | CCCC(C(CC1C2=C(CO1)C(=CC=C2)OC)O)O |
| SMILES (Isomeric) | CCC[C@@H]([C@@H](C[C@@H]1C2=C(CO1)C(=CC=C2)OC)O)O |
| InChI | InChI=1S/C15H22O4/c1-3-5-12(16)13(17)8-15-10-6-4-7-14(18-2)11(10)9-19-15/h4,6-7,12-13,15-17H,3,5,8-9H2,1-2H3/t12-,13+,15+/m0/s1 |
| InChI Key | AKISWEDXENVJGK-GZBFAFLISA-N |
| Popularity | 1 reference in papers |
| Molecular Formula | C15H22O4 |
| Molecular Weight | 266.33 g/mol |
| Exact Mass | 266.15180918 g/mol |
| Topological Polar Surface Area (TPSA) | 58.90 Ų |
| XlogP | 1.50 |
| CHEMBL4166120 |
| 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 |
|---|---|---|---|---|
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 98.76% | 96.09% |
| CHEMBL2581 | P07339 | Cathepsin D | 96.32% | 98.95% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 95.70% | 97.25% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 92.18% | 86.33% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 90.93% | 91.11% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 89.93% | 97.09% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 89.87% | 93.56% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 89.67% | 90.17% |
| CHEMBL1907 | P15144 | Aminopeptidase N | 89.43% | 93.31% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 88.63% | 99.17% |
| CHEMBL3192 | Q9BY41 | Histone deacetylase 8 | 86.04% | 93.99% |
| CHEMBL4478 | Q00975 | Voltage-gated N-type calcium channel alpha-1B subunit | 85.97% | 97.14% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 85.59% | 95.56% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 85.24% | 92.62% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 83.50% | 85.14% |
| CHEMBL2535 | P11166 | Glucose transporter | 81.99% | 98.75% |
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.
| There are no matching plants. |
| PubChem | 139589772 |
| LOTUS | LTS0213577 |
| wikiData | Q104913667 |