(2S,3R)-5,8-dihydroxy-2-(hydroxymethyl)-3-[(2R)-2-hydroxypropyl]-6-methoxy-2,3-dihydronaphthalene-1,4-dione
Internal ID | 73feb5c0-47e8-4cf8-8c2e-2d4ec55d05d0 |
Taxonomy | Benzenoids > Naphthalenes > Naphthoquinones |
IUPAC Name | (2S,3R)-5,8-dihydroxy-2-(hydroxymethyl)-3-[(2R)-2-hydroxypropyl]-6-methoxy-2,3-dihydronaphthalene-1,4-dione |
SMILES (Canonical) | CC(CC1C(C(=O)C2=C(C1=O)C(=C(C=C2O)OC)O)CO)O |
SMILES (Isomeric) | C[C@H](C[C@@H]1[C@H](C(=O)C2=C(C1=O)C(=C(C=C2O)OC)O)CO)O |
InChI | InChI=1S/C15H18O7/c1-6(17)3-7-8(5-16)14(20)11-9(18)4-10(22-2)15(21)12(11)13(7)19/h4,6-8,16-18,21H,3,5H2,1-2H3/t6-,7-,8-/m1/s1 |
InChI Key | NIAPVSNRQAJRSB-BWZBUEFSSA-N |
Popularity | 0 references in papers |
Molecular Formula | C15H18O7 |
Molecular Weight | 310.30 g/mol |
Exact Mass | 310.10525291 g/mol |
Topological Polar Surface Area (TPSA) | 124.00 Ų |
XlogP | 1.00 |
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 |
---|---|---|---|---|
CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 98.34% | 85.14% |
CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 96.79% | 96.09% |
CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 96.46% | 91.11% |
CHEMBL2581 | P07339 | Cathepsin D | 95.89% | 98.95% |
CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 90.46% | 94.45% |
CHEMBL1937 | Q92769 | Histone deacetylase 2 | 89.95% | 94.75% |
CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 88.22% | 99.15% |
CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 87.84% | 99.17% |
CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 87.53% | 95.56% |
CHEMBL4016 | P42262 | Glutamate receptor ionotropic, AMPA 2 | 87.27% | 86.92% |
CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 86.81% | 94.00% |
CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 85.49% | 92.62% |
CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 83.83% | 86.33% |
CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 82.34% | 90.71% |
CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 80.50% | 95.89% |
CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 80.45% | 89.00% |
CHEMBL225 | P28335 | Serotonin 2c (5-HT2c) receptor | 80.43% | 89.62% |
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.
PubChem | 162963448 |
LOTUS | LTS0095534 |
wikiData | Q105130443 |