(2',2'-dimethyl-4,5'-dioxo-2-phenylspiro[8H-furo[2,3-h]chromene-9,4'-oxolane]-3'-yl) acetate
Internal ID | 7ffb96c4-595f-4c04-836d-633bc67b498c |
Taxonomy | Phenylpropanoids and polyketides > Flavonoids > Flavones > 8-prenylated flavones |
IUPAC Name | (2',2'-dimethyl-4,5'-dioxo-2-phenylspiro[8H-furo[2,3-h]chromene-9,4'-oxolane]-3'-yl) acetate |
SMILES (Canonical) | CC(=O)OC1C(OC(=O)C12COC3=C2C4=C(C=C3)C(=O)C=C(O4)C5=CC=CC=C5)(C)C |
SMILES (Isomeric) | CC(=O)OC1C(OC(=O)C12COC3=C2C4=C(C=C3)C(=O)C=C(O4)C5=CC=CC=C5)(C)C |
InChI | InChI=1S/C24H20O7/c1-13(25)29-21-23(2,3)31-22(27)24(21)12-28-17-10-9-15-16(26)11-18(30-20(15)19(17)24)14-7-5-4-6-8-14/h4-11,21H,12H2,1-3H3 |
InChI Key | QSNBHLXYLHVCLT-UHFFFAOYSA-N |
Popularity | 1 reference in papers |
Molecular Formula | C24H20O7 |
Molecular Weight | 420.40 g/mol |
Exact Mass | 420.12090297 g/mol |
Topological Polar Surface Area (TPSA) | 88.10 Ų |
XlogP | 2.90 |
There are no found synonyms. |
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 | 99.73% | 91.11% |
CHEMBL2581 | P07339 | Cathepsin D | 98.83% | 98.95% |
CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 95.75% | 95.56% |
CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 94.21% | 89.00% |
CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 94.01% | 86.33% |
CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 93.58% | 94.45% |
CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 93.48% | 99.23% |
CHEMBL2035 | P08912 | Muscarinic acetylcholine receptor M5 | 90.15% | 94.62% |
CHEMBL3091268 | Q92753 | Nuclear receptor ROR-beta | 88.51% | 95.50% |
CHEMBL340 | P08684 | Cytochrome P450 3A4 | 87.43% | 91.19% |
CHEMBL2083 | P15090 | Fatty acid binding protein adipocyte | 85.31% | 95.71% |
CHEMBL5028 | O14672 | ADAM10 | 83.86% | 97.50% |
CHEMBL4478 | Q00975 | Voltage-gated N-type calcium channel alpha-1B subunit | 82.74% | 97.14% |
CHEMBL1821 | P08173 | Muscarinic acetylcholine receptor M4 | 81.50% | 94.08% |
CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 80.94% | 85.14% |
CHEMBL216 | P11229 | Muscarinic acetylcholine receptor M1 | 80.83% | 94.23% |
CHEMBL3137262 | O60341 | LSD1/CoREST complex | 80.31% | 97.09% |
CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 80.16% | 96.09% |
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.
Indigofera tinctoria |
Tephrosia purpurea |
PubChem | 12893623 |
LOTUS | LTS0236934 |
wikiData | Q105227143 |