(3R)-3-(2,4-dihydroxyphenyl)-8-[(2E)-3,7-dimethylocta-2,6-dienyl]-5,7-dihydroxy-2,3-dihydrochromen-4-one
Internal ID | d626e1bf-9db2-4dac-a94f-8f770e436925 |
Taxonomy | Phenylpropanoids and polyketides > Isoflavonoids > Isoflavans > Isoflavanones > 8-prenylated isoflavanones |
IUPAC Name | (3R)-3-(2,4-dihydroxyphenyl)-8-[(2E)-3,7-dimethylocta-2,6-dienyl]-5,7-dihydroxy-2,3-dihydrochromen-4-one |
SMILES (Canonical) | CC(=CCCC(=CCC1=C2C(=C(C=C1O)O)C(=O)C(CO2)C3=C(C=C(C=C3)O)O)C)C |
SMILES (Isomeric) | CC(=CCC/C(=C/CC1=C2C(=C(C=C1O)O)C(=O)[C@@H](CO2)C3=C(C=C(C=C3)O)O)/C)C |
InChI | InChI=1S/C25H28O6/c1-14(2)5-4-6-15(3)7-9-18-21(28)12-22(29)23-24(30)19(13-31-25(18)23)17-10-8-16(26)11-20(17)27/h5,7-8,10-12,19,26-29H,4,6,9,13H2,1-3H3/b15-7+/t19-/m0/s1 |
InChI Key | NRWALBDZFNTPSD-QEXPOGAPSA-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 | 6.00 |
There are no found synonyms. |
![2D Structure of (3R)-3-(2,4-dihydroxyphenyl)-8-[(2E)-3,7-dimethylocta-2,6-dienyl]-5,7-dihydroxy-2,3-dihydrochromen-4-one 2D Structure of (3R)-3-(2,4-dihydroxyphenyl)-8-[(2E)-3,7-dimethylocta-2,6-dienyl]-5,7-dihydroxy-2,3-dihydrochromen-4-one](https://plantaedb.com/storage/docs/compounds/2023/11/cd6af580-839d-11ee-a130-574e7835bb01.jpg)
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 | 99.13% | 91.11% |
CHEMBL2581 | P07339 | Cathepsin D | 98.29% | 98.95% |
CHEMBL3401 | O75469 | Pregnane X receptor | 95.50% | 94.73% |
CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 93.45% | 94.45% |
CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 90.99% | 95.56% |
CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 89.92% | 99.17% |
CHEMBL4769 | O95749 | Geranylgeranyl pyrophosphate synthetase | 89.75% | 92.08% |
CHEMBL226 | P30542 | Adenosine A1 receptor | 89.27% | 95.93% |
CHEMBL1929 | P47989 | Xanthine dehydrogenase | 88.75% | 96.12% |
CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 88.68% | 89.00% |
CHEMBL1994 | P08235 | Mineralocorticoid receptor | 88.25% | 100.00% |
CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 87.57% | 86.33% |
CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 87.24% | 96.09% |
CHEMBL2107 | P61073 | C-X-C chemokine receptor type 4 | 86.55% | 93.10% |
CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 84.92% | 90.71% |
CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 84.47% | 95.89% |
CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 84.34% | 99.23% |
CHEMBL3137262 | O60341 | LSD1/CoREST complex | 83.97% | 97.09% |
CHEMBL5852 | Q96P65 | Pyroglutamylated RFamide peptide receptor | 83.31% | 85.00% |
CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 82.96% | 85.14% |
CHEMBL5697 | Q9GZT9 | Egl nine homolog 1 | 80.42% | 93.40% |
CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 80.25% | 99.15% |
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.
Sophora koreensis |
PubChem | 163036277 |
LOTUS | LTS0216201 |
wikiData | Q105184852 |