(2S)-2-(3,4-dihydroxyphenyl)-6-(3,7-dimethylocta-2,6-dienyl)-5,7-dihydroxy-2,3-dihydrochromen-4-one
Internal ID | 33bf48cb-0959-4c2b-af6b-c6476a6fae96 |
Taxonomy | Phenylpropanoids and polyketides > Flavonoids > Flavans > 6-prenylated flavans > 6-prenylated flavanones |
IUPAC Name | (2S)-2-(3,4-dihydroxyphenyl)-6-(3,7-dimethylocta-2,6-dienyl)-5,7-dihydroxy-2,3-dihydrochromen-4-one |
SMILES (Canonical) | CC(=CCCC(=CCC1=C(C2=C(C=C1O)OC(CC2=O)C3=CC(=C(C=C3)O)O)O)C)C |
SMILES (Isomeric) | CC(=CCCC(=CCC1=C(C2=C(C=C1O)O[C@@H](CC2=O)C3=CC(=C(C=C3)O)O)O)C)C |
InChI | InChI=1S/C25H28O6/c1-14(2)5-4-6-15(3)7-9-17-19(27)12-23-24(25(17)30)21(29)13-22(31-23)16-8-10-18(26)20(28)11-16/h5,7-8,10-12,22,26-28,30H,4,6,9,13H2,1-3H3/t22-/m0/s1 |
InChI Key | XCYSQFHYFNWYFP-QFIPXVFZSA-N |
Popularity | 0 references in papers |
Molecular Formula | C25H28O6 |
Molecular Weight | 424.50 g/mol |
Exact Mass | 424.18858861 g/mol |
Topological Polar Surface Area (TPSA) | 107.00 Ų |
XlogP | 5.80 |
There are no found synonyms. |
![2D Structure of (2S)-2-(3,4-dihydroxyphenyl)-6-(3,7-dimethylocta-2,6-dienyl)-5,7-dihydroxy-2,3-dihydrochromen-4-one 2D Structure of (2S)-2-(3,4-dihydroxyphenyl)-6-(3,7-dimethylocta-2,6-dienyl)-5,7-dihydroxy-2,3-dihydrochromen-4-one](https://plantaedb.com/storage/docs/compounds/2023/11/2s-2-34-dihydroxyphenyl-6-37-dimethylocta-26-dienyl-57-dihydroxy-23-dihydrochromen-4-one.jpg)
Target | Value | Probability (raw) | Probability (%) |
---|---|---|---|
No predicted properties yet! |
Proven Targets:
CHEMBL ID | UniProt ID | Name | Min activity | Assay type | Source |
---|---|---|---|---|---|
CHEMBL215 | P09917 | Arachidonate 5-lipoxygenase |
50 nM |
IC50 |
via Super-PRED
|
Predicted Targets (via Super-PRED):
CHEMBL ID | UniProt ID | Name | Probability | Model accuracy |
---|---|---|---|---|
CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 99.73% | 91.11% |
CHEMBL2581 | P07339 | Cathepsin D | 95.60% | 98.95% |
CHEMBL1951 | P21397 | Monoamine oxidase A | 95.45% | 91.49% |
CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 94.89% | 94.45% |
CHEMBL3401 | O75469 | Pregnane X receptor | 93.42% | 94.73% |
CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 90.43% | 85.14% |
CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 89.70% | 89.00% |
CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 89.20% | 96.09% |
CHEMBL3137262 | O60341 | LSD1/CoREST complex | 88.58% | 97.09% |
CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 88.29% | 95.56% |
CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 87.54% | 99.23% |
CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 87.49% | 90.71% |
CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 85.08% | 99.15% |
CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 84.59% | 95.89% |
CHEMBL1994 | P08235 | Mineralocorticoid receptor | 83.37% | 100.00% |
CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 82.69% | 86.33% |
CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 82.39% | 99.17% |
CHEMBL4208 | P20618 | Proteasome component C5 | 81.53% | 90.00% |
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.
Hernandia nymphaeifolia |
Macaranga alnifolia |
Macaranga tanarius |
Paulownia tomentosa |
PubChem | 91461568 |
LOTUS | LTS0268671 |
wikiData | Q105325557 |