Epimesquitol-4beta-ol
Internal ID | 4ea5ffb6-44d8-41ed-9db1-0e20f783d894 |
Taxonomy | Phenylpropanoids and polyketides > Flavonoids > Flavans > Leucoanthocyanidins |
IUPAC Name | (2R,3R,4S)-2-(3,4-dihydroxyphenyl)-3,4-dihydro-2H-chromene-3,4,7,8-tetrol |
SMILES (Canonical) | C1=CC(=C(C=C1C2C(C(C3=C(O2)C(=C(C=C3)O)O)O)O)O)O |
SMILES (Isomeric) | C1=CC(=C(C=C1[C@@H]2[C@@H]([C@H](C3=C(O2)C(=C(C=C3)O)O)O)O)O)O |
InChI | InChI=1S/C15H14O7/c16-8-3-1-6(5-10(8)18)14-13(21)11(19)7-2-4-9(17)12(20)15(7)22-14/h1-5,11,13-14,16-21H/t11-,13+,14+/m0/s1 |
InChI Key | JEUXGAUBSWADEA-IACUBPJLSA-N |
Popularity | 0 references in papers |
Molecular Formula | C15H14O7 |
Molecular Weight | 306.27 g/mol |
Exact Mass | 306.07395278 g/mol |
Topological Polar Surface Area (TPSA) | 131.00 Ų |
XlogP | 0.30 |
SCHEMBL13322134 |
LMPK12020193 |
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 | 98.97% | 91.11% |
CHEMBL1951 | P21397 | Monoamine oxidase A | 97.40% | 91.49% |
CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 90.92% | 99.15% |
CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 86.89% | 89.00% |
CHEMBL3227 | P41594 | Metabotropic glutamate receptor 5 | 86.48% | 96.42% |
CHEMBL3401 | O75469 | Pregnane X receptor | 86.43% | 94.73% |
CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 84.39% | 96.09% |
CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 83.79% | 95.56% |
CHEMBL3194 | P02766 | Transthyretin | 83.50% | 90.71% |
CHEMBL3137262 | O60341 | LSD1/CoREST complex | 83.08% | 97.09% |
CHEMBL3830 | Q2M2I8 | Adaptor-associated kinase | 82.84% | 83.10% |
CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 81.61% | 95.89% |
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.
Acacia excelsa |
Acacia melanoxylon |
Acacia retinodes |
PubChem | 15559981 |
LOTUS | LTS0068917 |
wikiData | Q27140373 |