(3S)-5,8-dihydroxy-3-[(4-hydroxyphenyl)methyl]-7-methoxy-2,3-dihydrochromen-4-one
Internal ID | 65555551-448b-499c-a773-6ad576a71af8 |
Taxonomy | Phenylpropanoids and polyketides > Homoisoflavonoids > Homoisoflavans > Homoisoflavanones |
IUPAC Name | (3S)-5,8-dihydroxy-3-[(4-hydroxyphenyl)methyl]-7-methoxy-2,3-dihydrochromen-4-one |
SMILES (Canonical) | COC1=C(C2=C(C(=C1)O)C(=O)C(CO2)CC3=CC=C(C=C3)O)O |
SMILES (Isomeric) | COC1=C(C2=C(C(=C1)O)C(=O)[C@H](CO2)CC3=CC=C(C=C3)O)O |
InChI | InChI=1S/C17H16O6/c1-22-13-7-12(19)14-15(20)10(8-23-17(14)16(13)21)6-9-2-4-11(18)5-3-9/h2-5,7,10,18-19,21H,6,8H2,1H3/t10-/m0/s1 |
InChI Key | QALFGMCBICJHPI-JTQLQIEISA-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) | 96.20 Ų |
XlogP | 2.80 |
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 | 98.29% | 91.11% |
CHEMBL2581 | P07339 | Cathepsin D | 95.98% | 98.95% |
CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 94.54% | 96.09% |
CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 94.50% | 94.45% |
CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 93.96% | 94.00% |
CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 91.57% | 95.56% |
CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 91.36% | 99.17% |
CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 90.96% | 95.89% |
CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 90.91% | 86.33% |
CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 88.79% | 95.89% |
CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 87.51% | 85.14% |
CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 87.40% | 92.62% |
CHEMBL3137262 | O60341 | LSD1/CoREST complex | 86.98% | 97.09% |
CHEMBL4208 | P20618 | Proteasome component C5 | 84.45% | 90.00% |
CHEMBL2107 | P61073 | C-X-C chemokine receptor type 4 | 83.17% | 93.10% |
CHEMBL4940 | P07195 | L-lactate dehydrogenase B chain | 82.59% | 95.53% |
CHEMBL2535 | P11166 | Glucose transporter | 82.57% | 98.75% |
CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 82.03% | 89.00% |
CHEMBL3091268 | Q92753 | Nuclear receptor ROR-beta | 80.66% | 95.50% |
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.
Leopoldia comosa |
PubChem | 92470431 |
LOTUS | LTS0111974 |
wikiData | Q105217500 |