6,8-dihydroxy-3-(4-hydroxyphenyl)-7-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-4H-naphthalen-1-one
Internal ID | 0ac0e063-9142-4598-88fb-e8dd6e45dd46 |
Taxonomy | Benzenoids > Naphthalenes > Phenylnaphthalenes |
IUPAC Name | 6,8-dihydroxy-3-(4-hydroxyphenyl)-7-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-4H-naphthalen-1-one |
SMILES (Canonical) | C1C2=CC(=C(C(=C2C(=O)C=C1C3=CC=C(C=C3)O)O)C4C(C(C(C(O4)CO)O)O)O)O |
SMILES (Isomeric) | C1C2=CC(=C(C(=C2C(=O)C=C1C3=CC=C(C=C3)O)O)C4C(C(C(C(O4)CO)O)O)O)O |
InChI | InChI=1S/C22H22O9/c23-8-15-18(27)20(29)21(30)22(31-15)17-14(26)7-11-5-10(6-13(25)16(11)19(17)28)9-1-3-12(24)4-2-9/h1-4,6-7,15,18,20-24,26-30H,5,8H2 |
InChI Key | OYJCWTROZCNWAA-UHFFFAOYSA-N |
Popularity | 0 references in papers |
Molecular Formula | C22H22O9 |
Molecular Weight | 430.40 g/mol |
Exact Mass | 430.12638228 g/mol |
Topological Polar Surface Area (TPSA) | 168.00 Ų |
XlogP | 0.40 |
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 | 99.60% | 91.11% |
CHEMBL2581 | P07339 | Cathepsin D | 98.64% | 98.95% |
CHEMBL226 | P30542 | Adenosine A1 receptor | 93.45% | 95.93% |
CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 93.41% | 89.00% |
CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 92.08% | 96.09% |
CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 91.81% | 94.45% |
CHEMBL2345 | P51812 | Ribosomal protein S6 kinase alpha 3 | 90.57% | 95.64% |
CHEMBL3137262 | O60341 | LSD1/CoREST complex | 89.93% | 97.09% |
CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 88.89% | 86.33% |
CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 88.65% | 99.17% |
CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 88.35% | 99.15% |
CHEMBL2288 | Q13526 | Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1 | 86.13% | 91.71% |
CHEMBL4040 | P28482 | MAP kinase ERK2 | 86.04% | 83.82% |
CHEMBL3880 | P07900 | Heat shock protein HSP 90-alpha | 85.91% | 96.21% |
CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 85.49% | 95.89% |
CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 85.28% | 95.56% |
CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 84.95% | 90.71% |
CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 84.52% | 94.00% |
CHEMBL1994 | P08235 | Mineralocorticoid receptor | 83.95% | 100.00% |
CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 81.07% | 95.89% |
CHEMBL3401 | O75469 | Pregnane X receptor | 81.03% | 94.73% |
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.
Eutrema salsugineum |
PubChem | 162932860 |
LOTUS | LTS0127451 |
wikiData | Q105203349 |