2-Hydroxy-7-O-methylscillascillin
| Internal ID | 58df4834-c638-4b2e-8460-d816d1b14889 |
| Taxonomy | Phenylpropanoids and polyketides > Isoflavonoids > Isoflavans > Isoflavanols |
| IUPAC Name | 2,5-dihydroxy-7-methoxyspiro[2H-chromene-3,4'-9,11-dioxatricyclo[6.3.0.03,6]undeca-1(8),2,6-triene]-4-one |
| SMILES (Canonical) | COC1=CC(=C2C(=C1)OC(C3(C2=O)CC4=CC5=C(C=C34)OCO5)O)O |
| SMILES (Isomeric) | COC1=CC(=C2C(=C1)OC(C3(C2=O)CC4=CC5=C(C=C34)OCO5)O)O |
| InChI | InChI=1S/C18H14O7/c1-22-9-3-11(19)15-14(4-9)25-17(21)18(16(15)20)6-8-2-12-13(5-10(8)18)24-7-23-12/h2-5,17,19,21H,6-7H2,1H3 |
| InChI Key | HQNATRVFSYNBMS-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C18H14O7 |
| Molecular Weight | 342.30 g/mol |
| Exact Mass | 342.07395278 g/mol |
| Topological Polar Surface Area (TPSA) | 94.40 Ų |
| XlogP | 1.40 |
| 52096-50-1 |
| AKOS032948762 |
| 2,5-dihydroxy-7-methoxyspiro[2H-chromene-3,4'-9,11-dioxatricyclo[6.3.0.03,6]undeca-1(8),2,6-triene]-4-one |
| (3R)-2,5-dihydroxy-7-methoxyspiro[2H-chromene-3,4'-9,11-dioxatricyclo[6.3.0.0^{3,6]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 | 99.49% | 91.11% |
| CHEMBL4303 | P08238 | Heat shock protein HSP 90-beta | 98.80% | 96.77% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 97.70% | 94.45% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 94.08% | 96.09% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 92.98% | 95.56% |
| CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 92.25% | 99.15% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 92.09% | 85.14% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 90.66% | 99.23% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 90.45% | 90.00% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 89.76% | 92.62% |
| CHEMBL5311 | P37023 | Serine/threonine-protein kinase receptor R3 | 88.68% | 82.67% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 88.57% | 97.09% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 85.52% | 89.00% |
| CHEMBL2581 | P07339 | Cathepsin D | 85.41% | 98.95% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 85.14% | 95.89% |
| CHEMBL4481 | P35228 | Nitric oxide synthase, inducible | 83.87% | 94.80% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 83.64% | 94.00% |
| CHEMBL3880 | P07900 | Heat shock protein HSP 90-alpha | 82.77% | 96.21% |
| CHEMBL3192 | Q9BY41 | Histone deacetylase 8 | 82.53% | 93.99% |
| CHEMBL2007 | P16234 | Platelet-derived growth factor receptor alpha | 81.18% | 91.07% |
| CHEMBL1929 | P47989 | Xanthine dehydrogenase | 80.36% | 96.12% |
| CHEMBL5697 | Q9GZT9 | Egl nine homolog 1 | 80.34% | 93.40% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 80.22% | 94.73% |
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 | 85827078 |
| LOTUS | LTS0162108 |
| wikiData | Q105032320 |