(2S)-2-(3,4-dihydroxyphenyl)-5-hydroxy-2,3,8,9-tetrahydropyrano[3,2-h][1]benzoxepin-4-one
Internal ID | f9d0fb2e-d7ca-4738-9f99-8dca40df6eb0 |
Taxonomy | Phenylpropanoids and polyketides > Flavonoids > Flavans > Flavanones |
IUPAC Name | (2S)-2-(3,4-dihydroxyphenyl)-5-hydroxy-2,3,8,9-tetrahydropyrano[3,2-h][1]benzoxepin-4-one |
SMILES (Canonical) | C1COC2=CC3=C(C(=O)CC(O3)C4=CC(=C(C=C4)O)O)C(=C2C=C1)O |
SMILES (Isomeric) | C1COC2=CC3=C(C(=O)C[C@H](O3)C4=CC(=C(C=C4)O)O)C(=C2C=C1)O |
InChI | InChI=1S/C19H16O6/c20-12-5-4-10(7-13(12)21)15-8-14(22)18-17(25-15)9-16-11(19(18)23)3-1-2-6-24-16/h1,3-5,7,9,15,20-21,23H,2,6,8H2/t15-/m0/s1 |
InChI Key | BTIIMTBXBCEZPA-HNNXBMFYSA-N |
Popularity | 0 references in papers |
Molecular Formula | C19H16O6 |
Molecular Weight | 340.30 g/mol |
Exact Mass | 340.09468823 g/mol |
Topological Polar Surface Area (TPSA) | 96.20 Ų |
XlogP | 3.20 |
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 | 99.45% | 91.11% |
CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 95.24% | 85.14% |
CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 94.74% | 94.45% |
CHEMBL5697 | Q9GZT9 | Egl nine homolog 1 | 94.25% | 93.40% |
CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 92.93% | 89.00% |
CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 90.72% | 95.56% |
CHEMBL2553 | Q15418 | Ribosomal protein S6 kinase alpha 1 | 90.58% | 85.11% |
CHEMBL3137262 | O60341 | LSD1/CoREST complex | 90.08% | 97.09% |
CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 89.99% | 99.15% |
CHEMBL2581 | P07339 | Cathepsin D | 88.26% | 98.95% |
CHEMBL4208 | P20618 | Proteasome component C5 | 87.55% | 90.00% |
CHEMBL4481 | P35228 | Nitric oxide synthase, inducible | 84.83% | 94.80% |
CHEMBL1994 | P08235 | Mineralocorticoid receptor | 83.86% | 100.00% |
CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 82.79% | 86.33% |
CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 81.80% | 90.71% |
CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 81.60% | 96.09% |
CHEMBL1907605 | P24864 | Cyclin-dependent kinase 2/cyclin E1 | 81.30% | 92.88% |
CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 80.96% | 99.23% |
CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 80.26% | 95.89% |
CHEMBL3004 | P33527 | Multidrug resistance-associated protein 1 | 80.08% | 96.37% |
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.
Wyethia mollis |
PubChem | 163187536 |
LOTUS | LTS0150969 |
wikiData | Q104945648 |