(2R,3R)-2,5,7-trihydroxyspiro[2H-chromene-3,4'-9,11-dioxatricyclo[6.3.0.03,6]undeca-1(8),2,6-triene]-4-one
| Internal ID | 4d4e4af3-eab6-4bfe-9c06-b316b02c1e64 |
| Taxonomy | Phenylpropanoids and polyketides > Isoflavonoids > Isoflavans > Isoflavanols |
| IUPAC Name | (2R,3R)-2,5,7-trihydroxyspiro[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=C2C14C(OC5=CC(=CC(=C5C4=O)O)O)O)OCO3 |
| SMILES (Isomeric) | C1C2=CC3=C(C=C2[C@@]14[C@@H](OC5=CC(=CC(=C5C4=O)O)O)O)OCO3 |
| InChI | InChI=1S/C17H12O7/c18-8-2-10(19)14-13(3-8)24-16(21)17(15(14)20)5-7-1-11-12(4-9(7)17)23-6-22-11/h1-4,16,18-19,21H,5-6H2/t16-,17+/m1/s1 |
| InChI Key | KEAXKVGKQLXEGB-SJORKVTESA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C17H12O7 |
| Molecular Weight | 328.27 g/mol |
| Exact Mass | 328.05830272 g/mol |
| Topological Polar Surface Area (TPSA) | 105.00 Ų |
| XlogP | 1.00 |
| There are no found synonyms. |
![2D Structure of (2R,3R)-2,5,7-trihydroxyspiro[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/ebca20a0-85eb-11ee-852d-ad875fbda6b0.jpg "2D Structure of (2R,3R)-2,5,7-trihydroxyspiro[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 | 99.42% | 91.11% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 96.55% | 94.45% |
| CHEMBL1929 | P47989 | Xanthine dehydrogenase | 95.42% | 96.12% |
| CHEMBL4303 | P08238 | Heat shock protein HSP 90-beta | 93.14% | 96.77% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 91.54% | 89.00% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 90.89% | 99.23% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 89.98% | 95.56% |
| CHEMBL5697 | Q9GZT9 | Egl nine homolog 1 | 89.40% | 93.40% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 86.24% | 97.09% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 85.89% | 100.00% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 85.45% | 90.00% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 84.79% | 96.09% |
| CHEMBL5311 | P37023 | Serine/threonine-protein kinase receptor R3 | 84.55% | 82.67% |
| CHEMBL3351 | Q13085 | Acetyl-CoA carboxylase 1 | 84.36% | 93.04% |
| CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 84.27% | 99.15% |
| CHEMBL2581 | P07339 | Cathepsin D | 83.75% | 98.95% |
| CHEMBL2553 | Q15418 | Ribosomal protein S6 kinase alpha 1 | 83.08% | 85.11% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 82.46% | 92.62% |
| CHEMBL4481 | P35228 | Nitric oxide synthase, inducible | 82.08% | 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.
| Scilla luciliae |
| PubChem | 162895118 |
| LOTUS | LTS0134107 |
| wikiData | Q105139846 |