(3S)-7-hydroxy-3-[2-hydroxy-4-methoxy-5-(3-methylbut-2-enyl)phenyl]-2,3-dihydrochromen-4-one
Internal ID | ffb79f6a-93ed-4d4c-93d5-b4eb7d950512 |
Taxonomy | Phenylpropanoids and polyketides > Isoflavonoids > Isoflavans > Isoflavanones > 3-prenylated isoflavanones |
IUPAC Name | (3S)-7-hydroxy-3-[2-hydroxy-4-methoxy-5-(3-methylbut-2-enyl)phenyl]-2,3-dihydrochromen-4-one |
SMILES (Canonical) | CC(=CCC1=CC(=C(C=C1OC)O)C2COC3=C(C2=O)C=CC(=C3)O)C |
SMILES (Isomeric) | CC(=CCC1=CC(=C(C=C1OC)O)[C@H]2COC3=C(C2=O)C=CC(=C3)O)C |
InChI | InChI=1S/C21H22O5/c1-12(2)4-5-13-8-16(18(23)10-19(13)25-3)17-11-26-20-9-14(22)6-7-15(20)21(17)24/h4,6-10,17,22-23H,5,11H2,1-3H3/t17-/m1/s1 |
InChI Key | QRGFRUURCOOJEV-QGZVFWFLSA-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. |
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 | 99.24% | 91.11% |
CHEMBL2581 | P07339 | Cathepsin D | 98.35% | 98.95% |
CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 94.85% | 85.14% |
CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 94.69% | 96.09% |
CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 94.68% | 86.33% |
CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 93.56% | 99.17% |
CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 93.25% | 95.56% |
CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 88.51% | 89.00% |
CHEMBL4208 | P20618 | Proteasome component C5 | 88.23% | 90.00% |
CHEMBL1994 | P08235 | Mineralocorticoid receptor | 88.03% | 100.00% |
CHEMBL225 | P28335 | Serotonin 2c (5-HT2c) receptor | 87.25% | 89.62% |
CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 87.11% | 95.89% |
CHEMBL2535 | P11166 | Glucose transporter | 86.97% | 98.75% |
CHEMBL2413 | P32246 | C-C chemokine receptor type 1 | 86.47% | 89.50% |
CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 84.51% | 92.62% |
CHEMBL3137262 | O60341 | LSD1/CoREST complex | 84.22% | 97.09% |
CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 82.94% | 95.89% |
CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 82.65% | 94.00% |
CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 81.01% | 90.71% |
CHEMBL5311 | P37023 | Serine/threonine-protein kinase receptor R3 | 80.08% | 82.67% |
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 sacleuxii |
Sophora prostrata |
PubChem | 162956271 |
LOTUS | LTS0186619 |
wikiData | Q105226280 |