5,7-dihydroxyspiro[2H-chromene-3,4'-9,11-dioxatricyclo[6.3.0.03,6]undeca-1(8),2,6-triene]-4-one
| Internal ID | f19fa328-33a3-4a57-b6cc-8ca07d93b359 |
| Taxonomy | Phenylpropanoids and polyketides > Isoflavonoids > Isoflavans > Isoflavanones |
| IUPAC Name | 5,7-dihydroxyspiro[2H-chromene-3,4'-9,11-dioxatricyclo[6.3.0.03,6]undeca-1(8),2,6-triene]-4-one |
| SMILES (Canonical) | C1C2=CC3=C(C=C2C14COC5=CC(=CC(=C5C4=O)O)O)OCO3 |
| SMILES (Isomeric) | C1C2=CC3=C(C=C2C14COC5=CC(=CC(=C5C4=O)O)O)OCO3 |
| InChI | InChI=1S/C17H12O6/c18-9-2-11(19)15-14(3-9)21-6-17(16(15)20)5-8-1-12-13(4-10(8)17)23-7-22-12/h1-4,18-19H,5-7H2 |
| InChI Key | SAXOGBBWXWKZKR-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C17H12O6 |
| Molecular Weight | 312.27 g/mol |
| Exact Mass | 312.06338810 g/mol |
| Topological Polar Surface Area (TPSA) | 85.20 Ų |
| XlogP | 1.60 |
| 52706-07-7 |
| AKOS032948761 |
![2D Structure of 5,7-dihydroxyspiro[2H-chromene-3,4'-9,11-dioxatricyclo[6.3.0.03,6]undeca-1(8),2,6-triene]-4-one](https://plantaedb.com/storage/docs/compounds/2023/11/57-dihydroxyspiro2h-chromene-34-911-dioxatricyclo630036undeca-1826-triene-4-one.jpg "2D Structure of 5,7-dihydroxyspiro[2H-chromene-3,4'-9,11-dioxatricyclo[6.3.0.03,6]undeca-1(8),2,6-triene]-4-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 |
|---|---|---|---|---|
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 99.44% | 91.11% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 97.09% | 94.45% |
| CHEMBL4303 | P08238 | Heat shock protein HSP 90-beta | 94.49% | 96.77% |
| CHEMBL5697 | Q9GZT9 | Egl nine homolog 1 | 94.18% | 93.40% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 91.61% | 90.00% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 91.27% | 95.56% |
| CHEMBL1929 | P47989 | Xanthine dehydrogenase | 91.25% | 96.12% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 89.33% | 94.73% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 89.11% | 89.00% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 88.39% | 99.23% |
| CHEMBL4040 | P28482 | MAP kinase ERK2 | 87.67% | 83.82% |
| CHEMBL2581 | P07339 | Cathepsin D | 87.25% | 98.95% |
| CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 85.75% | 99.15% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 83.61% | 86.33% |
| CHEMBL2964 | P36507 | Dual specificity mitogen-activated protein kinase kinase 2 | 81.74% | 80.00% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 81.11% | 91.49% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 80.97% | 97.09% |
| CHEMBL4481 | P35228 | Nitric oxide synthase, inducible | 80.63% | 94.80% |
| CHEMBL3714130 | P46095 | G-protein coupled receptor 6 | 80.46% | 97.36% |
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.
| Merwilla plumbea |
| Muscari neglectum |
| Scilla luciliae |
| Tephrosia candida |
| PubChem | 85553711 |
| LOTUS | LTS0182899 |
| wikiData | Q104197124 |