(3S)-7-hydroxy-3-(4-hydroxy-2-methoxyphenyl)-5-methoxy-2,3-dihydrochromen-4-one
Internal ID | cf0b5633-914c-4d94-85b6-97ba2ddb369e |
Taxonomy | Phenylpropanoids and polyketides > Isoflavonoids > O-methylated isoflavonoids > 5-O-methylated isoflavonoids |
IUPAC Name | (3S)-7-hydroxy-3-(4-hydroxy-2-methoxyphenyl)-5-methoxy-2,3-dihydrochromen-4-one |
SMILES (Canonical) | COC1=CC(=CC2=C1C(=O)C(CO2)C3=C(C=C(C=C3)O)OC)O |
SMILES (Isomeric) | COC1=CC(=CC2=C1C(=O)[C@H](CO2)C3=C(C=C(C=C3)O)OC)O |
InChI | InChI=1S/C17H16O6/c1-21-13-5-9(18)3-4-11(13)12-8-23-15-7-10(19)6-14(22-2)16(15)17(12)20/h3-7,12,18-19H,8H2,1-2H3/t12-/m1/s1 |
InChI Key | VXWBAOPTFLXYTN-GFCCVEGCSA-N |
Popularity | 0 references in papers |
Molecular Formula | C17H16O6 |
Molecular Weight | 316.30 g/mol |
Exact Mass | 316.09468823 g/mol |
Topological Polar Surface Area (TPSA) | 85.20 Ų |
XlogP | 2.30 |
There are no found synonyms. |
![2D Structure of (3S)-7-hydroxy-3-(4-hydroxy-2-methoxyphenyl)-5-methoxy-2,3-dihydrochromen-4-one 2D Structure of (3S)-7-hydroxy-3-(4-hydroxy-2-methoxyphenyl)-5-methoxy-2,3-dihydrochromen-4-one](https://plantaedb.com/storage/docs/compounds/2023/11/3s-7-hydroxy-3-4-hydroxy-2-methoxyphenyl-5-methoxy-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 | 98.24% | 91.11% |
CHEMBL4040 | P28482 | MAP kinase ERK2 | 96.00% | 83.82% |
CHEMBL2581 | P07339 | Cathepsin D | 95.96% | 98.95% |
CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 95.51% | 94.45% |
CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 94.65% | 96.09% |
CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 93.71% | 95.56% |
CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 93.22% | 86.33% |
CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 89.74% | 89.00% |
CHEMBL2535 | P11166 | Glucose transporter | 89.11% | 98.75% |
CHEMBL4481 | P35228 | Nitric oxide synthase, inducible | 87.37% | 94.80% |
CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 86.92% | 95.89% |
CHEMBL3137262 | O60341 | LSD1/CoREST complex | 85.40% | 97.09% |
CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 84.89% | 85.14% |
CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 84.38% | 99.23% |
CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 83.95% | 95.89% |
CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 83.92% | 99.17% |
CHEMBL2146302 | O94925 | Glutaminase kidney isoform, mitochondrial | 82.85% | 100.00% |
CHEMBL4208 | P20618 | Proteasome component C5 | 82.38% | 90.00% |
CHEMBL1994 | P08235 | Mineralocorticoid receptor | 82.05% | 100.00% |
CHEMBL340 | P08684 | Cytochrome P450 3A4 | 81.96% | 91.19% |
CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 81.69% | 94.00% |
CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 80.75% | 90.71% |
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.
Lettowianthus stellatus |
Phaseolus coccineus |
PubChem | 162925665 |
LOTUS | LTS0078117 |
wikiData | Q105228696 |