(3R)-3-(2,4-dihydroxyphenyl)-7-methoxy-6-(3-methylbut-2-enyl)-2,3-dihydrochromen-4-one
Internal ID | 7f79f8df-57b3-416a-82d5-ca1a8b1bd49a |
Taxonomy | Phenylpropanoids and polyketides > Isoflavonoids > O-methylated isoflavonoids > 7-O-methylated isoflavonoids |
IUPAC Name | (3R)-3-(2,4-dihydroxyphenyl)-7-methoxy-6-(3-methylbut-2-enyl)-2,3-dihydrochromen-4-one |
SMILES (Canonical) | CC(=CCC1=CC2=C(C=C1OC)OCC(C2=O)C3=C(C=C(C=C3)O)O)C |
SMILES (Isomeric) | CC(=CCC1=CC2=C(C=C1OC)OC[C@H](C2=O)C3=C(C=C(C=C3)O)O)C |
InChI | InChI=1S/C21H22O5/c1-12(2)4-5-13-8-16-20(10-19(13)25-3)26-11-17(21(16)24)15-7-6-14(22)9-18(15)23/h4,6-10,17,22-23H,5,11H2,1-3H3/t17-/m0/s1 |
InChI Key | LSNIAXJYXWHPNJ-KRWDZBQOSA-N |
Popularity | 0 references in papers |
Molecular Formula | C21H22O5 |
Molecular Weight | 354.40 g/mol |
Exact Mass | 354.14672380 g/mol |
Topological Polar Surface Area (TPSA) | 76.00 Ų |
XlogP | 4.30 |
There are no found synonyms. |
![2D Structure of (3R)-3-(2,4-dihydroxyphenyl)-7-methoxy-6-(3-methylbut-2-enyl)-2,3-dihydrochromen-4-one 2D Structure of (3R)-3-(2,4-dihydroxyphenyl)-7-methoxy-6-(3-methylbut-2-enyl)-2,3-dihydrochromen-4-one](https://plantaedb.com/storage/docs/compounds/2023/11/3r-3-24-dihydroxyphenyl-7-methoxy-6-3-methylbut-2-enyl-23-dihydrochromen-4-one.jpg)
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 | 99.02% | 91.11% |
CHEMBL2581 | P07339 | Cathepsin D | 98.20% | 98.95% |
CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 95.72% | 96.09% |
CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 94.55% | 86.33% |
CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 93.85% | 95.56% |
CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 92.99% | 85.14% |
CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 92.88% | 99.17% |
CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 90.02% | 89.00% |
CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 89.52% | 95.89% |
CHEMBL2535 | P11166 | Glucose transporter | 89.48% | 98.75% |
CHEMBL1994 | P08235 | Mineralocorticoid receptor | 88.07% | 100.00% |
CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 86.96% | 94.45% |
CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 85.87% | 92.62% |
CHEMBL3137262 | O60341 | LSD1/CoREST complex | 85.84% | 97.09% |
CHEMBL3401 | O75469 | Pregnane X receptor | 85.62% | 94.73% |
CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 85.53% | 95.89% |
CHEMBL225 | P28335 | Serotonin 2c (5-HT2c) receptor | 84.65% | 89.62% |
CHEMBL2413 | P32246 | C-C chemokine receptor type 1 | 83.45% | 89.50% |
CHEMBL340 | P08684 | Cytochrome P450 3A4 | 83.14% | 91.19% |
CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 81.55% | 94.00% |
CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 81.31% | 90.71% |
CHEMBL4208 | P20618 | Proteasome component C5 | 81.27% | 90.00% |
CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 80.77% | 99.23% |
CHEMBL2007 | P16234 | Platelet-derived growth factor receptor alpha | 80.68% | 91.07% |
CHEMBL1929 | P47989 | Xanthine dehydrogenase | 80.66% | 96.12% |
CHEMBL1937 | Q92769 | Histone deacetylase 2 | 80.41% | 94.75% |
CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 80.09% | 99.15% |
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.
Erythrina velutina |
PubChem | 102445438 |
LOTUS | LTS0141710 |
wikiData | Q105156673 |