Methoxy rutaretin
Internal ID | 4489598c-2678-4e4b-8ebc-110c2d540c64 |
Taxonomy | Phenylpropanoids and polyketides > Coumarins and derivatives > Furanocoumarins > Psoralens |
IUPAC Name | (2S)-2-(2-hydroxypropan-2-yl)-9-methoxy-2,3-dihydrofuro[3,2-g]chromen-7-one |
SMILES (Canonical) | CC(C)(C1CC2=C(O1)C(=C3C(=C2)C=CC(=O)O3)OC)O |
SMILES (Isomeric) | CC(C)([C@@H]1CC2=C(O1)C(=C3C(=C2)C=CC(=O)O3)OC)O |
InChI | InChI=1S/C15H16O5/c1-15(2,17)10-7-9-6-8-4-5-11(16)20-12(8)14(18-3)13(9)19-10/h4-6,10,17H,7H2,1-3H3/t10-/m0/s1 |
InChI Key | KMOMCIKYMUNSPU-JTQLQIEISA-N |
Popularity | 1 reference in papers |
Molecular Formula | C15H16O5 |
Molecular Weight | 276.28 g/mol |
Exact Mass | 276.09977361 g/mol |
Topological Polar Surface Area (TPSA) | 65.00 Ų |
XlogP | 1.90 |
2,3-dihydro-2-(1-hydroxy-1-methylethyl)-9-methoxy-7H-furo[3,2-g][1]benzopyran- 7-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 | 97.55% | 91.11% |
CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 94.57% | 94.00% |
CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 91.51% | 97.25% |
CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 91.47% | 94.45% |
CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 90.97% | 95.56% |
CHEMBL3401 | O75469 | Pregnane X receptor | 87.93% | 94.73% |
CHEMBL2581 | P07339 | Cathepsin D | 87.42% | 98.95% |
CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 86.87% | 92.62% |
CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 86.00% | 86.33% |
CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 82.25% | 99.23% |
CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 80.43% | 95.89% |
CHEMBL2535 | P11166 | Glucose transporter | 80.07% | 98.75% |
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.
Euxylophora paraensis |
Fatoua villosa |
PubChem | 139069891 |
LOTUS | LTS0072579 |
wikiData | Q105143078 |