3a,4-Dihydroxy-2-(2-hydroxypropan-2-yl)-6,6-dimethyl-2,3,4,7,9,9a-hexahydrofuro[2,3-g]chromen-8-one
| Internal ID | 658aad3e-af4b-4d56-9eb4-0dec056b0125 |
| Taxonomy | Organoheterocyclic compounds > Pyrans > Pyranones and derivatives > Dihydropyranones |
| IUPAC Name | 3a,4-dihydroxy-2-(2-hydroxypropan-2-yl)-6,6-dimethyl-2,3,4,7,9,9a-hexahydrofuro[2,3-g]chromen-8-one |
| SMILES (Canonical) | CC1(CC(=O)C2=C(O1)C(C3(CC(OC3C2)C(C)(C)O)O)O)C |
| SMILES (Isomeric) | CC1(CC(=O)C2=C(O1)C(C3(CC(OC3C2)C(C)(C)O)O)O)C |
| InChI | InChI=1S/C16H24O6/c1-14(2)6-9(17)8-5-10-16(20,13(18)12(8)22-14)7-11(21-10)15(3,4)19/h10-11,13,18-20H,5-7H2,1-4H3 |
| InChI Key | KHFKITMXZQEMRU-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C16H24O6 |
| Molecular Weight | 312.36 g/mol |
| Exact Mass | 312.15728848 g/mol |
| Topological Polar Surface Area (TPSA) | 96.20 Ų |
| XlogP | -1.00 |
| There are no found synonyms. |
![2D Structure of 3a,4-Dihydroxy-2-(2-hydroxypropan-2-yl)-6,6-dimethyl-2,3,4,7,9,9a-hexahydrofuro[2,3-g]chromen-8-one](https://plantaedb.com/storage/docs/compounds/2023/11/3a4-dihydroxy-2-2-hydroxypropan-2-yl-66-dimethyl-234799a-hexahydrofuro23-gchromen-8-one.jpg "2D Structure of 3a,4-Dihydroxy-2-(2-hydroxypropan-2-yl)-6,6-dimethyl-2,3,4,7,9,9a-hexahydrofuro[2,3-g]chromen-8-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 |
|---|---|---|---|---|
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 95.57% | 85.14% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 93.63% | 91.11% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 93.04% | 94.45% |
| CHEMBL2581 | P07339 | Cathepsin D | 90.78% | 98.95% |
| CHEMBL4303 | P08238 | Heat shock protein HSP 90-beta | 89.19% | 96.77% |
| CHEMBL2996 | Q05655 | Protein kinase C delta | 88.70% | 97.79% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 88.42% | 89.00% |
| CHEMBL2850 | P49840 | Glycogen synthase kinase-3 alpha | 88.15% | 88.84% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 87.57% | 96.09% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 85.93% | 95.56% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 85.77% | 97.25% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 85.67% | 99.23% |
| CHEMBL4478 | Q00975 | Voltage-gated N-type calcium channel alpha-1B subunit | 85.48% | 97.14% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 82.90% | 97.09% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 81.48% | 100.00% |
| CHEMBL3351 | Q13085 | Acetyl-CoA carboxylase 1 | 80.83% | 93.04% |
| CHEMBL5966 | P55899 | IgG receptor FcRn large subunit p51 | 80.67% | 90.93% |
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 | 74336926 |
| LOTUS | LTS0224097 |
| wikiData | Q104170285 |