(2R)-1-[4-[(2E)-3,7-dimethylocta-2,6-dienoxy]-2-hydroxyphenyl]-2-hydroxy-3-(4-hydroxyphenyl)propan-1-one
Internal ID | 7011ae3d-4518-4a53-9e29-1609ea40987e |
Taxonomy | Phenylpropanoids and polyketides > Linear 1,3-diarylpropanoids > Chalcones and dihydrochalcones > 2-Hydroxy-dihydrochalcones |
IUPAC Name | (2R)-1-[4-[(2E)-3,7-dimethylocta-2,6-dienoxy]-2-hydroxyphenyl]-2-hydroxy-3-(4-hydroxyphenyl)propan-1-one |
SMILES (Canonical) | CC(=CCCC(=CCOC1=CC(=C(C=C1)C(=O)C(CC2=CC=C(C=C2)O)O)O)C)C |
SMILES (Isomeric) | CC(=CCC/C(=C/COC1=CC(=C(C=C1)C(=O)[C@@H](CC2=CC=C(C=C2)O)O)O)/C)C |
InChI | InChI=1S/C25H30O5/c1-17(2)5-4-6-18(3)13-14-30-21-11-12-22(23(27)16-21)25(29)24(28)15-19-7-9-20(26)10-8-19/h5,7-13,16,24,26-28H,4,6,14-15H2,1-3H3/b18-13+/t24-/m1/s1 |
InChI Key | VYLOLEWQBDGYSZ-XBEJUPMFSA-N |
Popularity | 0 references in papers |
Molecular Formula | C25H30O5 |
Molecular Weight | 410.50 g/mol |
Exact Mass | 410.20932405 g/mol |
Topological Polar Surface Area (TPSA) | 87.00 Ų |
XlogP | 6.10 |
There are no found synonyms. |
![2D Structure of (2R)-1-[4-[(2E)-3,7-dimethylocta-2,6-dienoxy]-2-hydroxyphenyl]-2-hydroxy-3-(4-hydroxyphenyl)propan-1-one 2D Structure of (2R)-1-[4-[(2E)-3,7-dimethylocta-2,6-dienoxy]-2-hydroxyphenyl]-2-hydroxy-3-(4-hydroxyphenyl)propan-1-one](https://plantaedb.com/storage/docs/compounds/2023/11/1490db10-8320-11ee-a670-8dbfd901ce87.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 |
---|---|---|---|---|
CHEMBL2581 | P07339 | Cathepsin D | 98.32% | 98.95% |
CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 97.48% | 99.17% |
CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 97.24% | 91.11% |
CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 95.12% | 96.09% |
CHEMBL4208 | P20618 | Proteasome component C5 | 93.28% | 90.00% |
CHEMBL3401 | O75469 | Pregnane X receptor | 93.10% | 94.73% |
CHEMBL2535 | P11166 | Glucose transporter | 92.67% | 98.75% |
CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 91.43% | 99.15% |
CHEMBL2107 | P61073 | C-X-C chemokine receptor type 4 | 91.27% | 93.10% |
CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 90.87% | 94.45% |
CHEMBL4769 | O95749 | Geranylgeranyl pyrophosphate synthetase | 89.99% | 92.08% |
CHEMBL3091268 | Q92753 | Nuclear receptor ROR-beta | 88.99% | 95.50% |
CHEMBL4657 | Q6V1X1 | Dipeptidyl peptidase VIII | 88.36% | 97.21% |
CHEMBL215 | P09917 | Arachidonate 5-lipoxygenase | 86.93% | 92.68% |
CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 86.19% | 86.33% |
CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 85.50% | 95.89% |
CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 84.98% | 94.00% |
CHEMBL4793 | Q86TI2 | Dipeptidyl peptidase IX | 84.56% | 96.95% |
CHEMBL3492 | P49721 | Proteasome Macropain subunit | 84.38% | 90.24% |
CHEMBL2288 | Q13526 | Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1 | 82.33% | 91.71% |
CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 81.89% | 95.56% |
CHEMBL2007 | P16234 | Platelet-derived growth factor receptor alpha | 81.46% | 91.07% |
CHEMBL211 | P08172 | Muscarinic acetylcholine receptor M2 | 80.32% | 94.97% |
CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 80.02% | 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.
Millettia usaramensis |
PubChem | 163193581 |
LOTUS | LTS0092009 |
wikiData | Q105299071 |