(2R)-2-[3-(3,7-dimethylocta-2,6-dienyl)-2,4-dihydroxy-5-(3-methylbut-2-enyl)phenyl]-5,7-dihydroxy-2,3-dihydrochromen-4-one
Internal ID | ee22da26-9283-4fb5-a06b-0319c7b890c7 |
Taxonomy | Phenylpropanoids and polyketides > Flavonoids > Flavans > 3-prenylated flavans > 3-prenylated flavanones |
IUPAC Name | (2R)-2-[3-(3,7-dimethylocta-2,6-dienyl)-2,4-dihydroxy-5-(3-methylbut-2-enyl)phenyl]-5,7-dihydroxy-2,3-dihydrochromen-4-one |
SMILES (Canonical) | CC(=CCCC(=CCC1=C(C(=CC(=C1O)C2CC(=O)C3=C(C=C(C=C3O2)O)O)CC=C(C)C)O)C)C |
SMILES (Isomeric) | CC(=CCCC(=CCC1=C(C(=CC(=C1O)[C@H]2CC(=O)C3=C(C=C(C=C3O2)O)O)CC=C(C)C)O)C)C |
InChI | InChI=1S/C30H36O6/c1-17(2)7-6-8-19(5)10-12-22-29(34)20(11-9-18(3)4)13-23(30(22)35)26-16-25(33)28-24(32)14-21(31)15-27(28)36-26/h7,9-10,13-15,26,31-32,34-35H,6,8,11-12,16H2,1-5H3/t26-/m1/s1 |
InChI Key | WPROLIAXVJPKCX-AREMUKBSSA-N |
Popularity | 0 references in papers |
Molecular Formula | C30H36O6 |
Molecular Weight | 492.60 g/mol |
Exact Mass | 492.25118886 g/mol |
Topological Polar Surface Area (TPSA) | 107.00 Ų |
XlogP | 7.70 |
There are no found synonyms. |
![2D Structure of (2R)-2-[3-(3,7-dimethylocta-2,6-dienyl)-2,4-dihydroxy-5-(3-methylbut-2-enyl)phenyl]-5,7-dihydroxy-2,3-dihydrochromen-4-one 2D Structure of (2R)-2-[3-(3,7-dimethylocta-2,6-dienyl)-2,4-dihydroxy-5-(3-methylbut-2-enyl)phenyl]-5,7-dihydroxy-2,3-dihydrochromen-4-one](https://plantaedb.com/storage/docs/compounds/2023/11/4de53ec0-862d-11ee-b0d3-a9c41ed3da31.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 | 99.71% | 91.11% |
CHEMBL2581 | P07339 | Cathepsin D | 97.06% | 98.95% |
CHEMBL1929 | P47989 | Xanthine dehydrogenase | 94.53% | 96.12% |
CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 93.73% | 94.45% |
CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 92.05% | 96.09% |
CHEMBL3401 | O75469 | Pregnane X receptor | 91.98% | 94.73% |
CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 91.72% | 99.23% |
CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 91.09% | 89.00% |
CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 90.27% | 90.71% |
CHEMBL3137262 | O60341 | LSD1/CoREST complex | 89.69% | 97.09% |
CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 89.37% | 99.17% |
CHEMBL1293267 | Q9HC97 | G-protein coupled receptor 35 | 87.52% | 89.34% |
CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 87.05% | 95.56% |
CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 85.82% | 86.33% |
CHEMBL4208 | P20618 | Proteasome component C5 | 85.61% | 90.00% |
CHEMBL2107 | P61073 | C-X-C chemokine receptor type 4 | 85.57% | 93.10% |
CHEMBL1994 | P08235 | Mineralocorticoid receptor | 85.34% | 100.00% |
CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 84.91% | 95.89% |
CHEMBL5852 | Q96P65 | Pyroglutamylated RFamide peptide receptor | 82.62% | 85.00% |
CHEMBL215 | P09917 | Arachidonate 5-lipoxygenase | 82.43% | 92.68% |
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.
Morus cathayana |
PubChem | 162948510 |
LOTUS | LTS0148302 |
wikiData | Q105310166 |