(2S)-5-hydroxy-7-methoxy-2-[4-(3-methylbut-2-enoxy)phenyl]-2,3-dihydrochromen-4-one
Internal ID | 3039486d-144f-4bf9-bba8-23c70d3a0afb |
Taxonomy | Phenylpropanoids and polyketides > Flavonoids > O-methylated flavonoids > 7-O-methylated flavonoids |
IUPAC Name | (2S)-5-hydroxy-7-methoxy-2-[4-(3-methylbut-2-enoxy)phenyl]-2,3-dihydrochromen-4-one |
SMILES (Canonical) | CC(=CCOC1=CC=C(C=C1)C2CC(=O)C3=C(C=C(C=C3O2)OC)O)C |
SMILES (Isomeric) | CC(=CCOC1=CC=C(C=C1)[C@@H]2CC(=O)C3=C(C=C(C=C3O2)OC)O)C |
InChI | InChI=1S/C21H22O5/c1-13(2)8-9-25-15-6-4-14(5-7-15)19-12-18(23)21-17(22)10-16(24-3)11-20(21)26-19/h4-8,10-11,19,22H,9,12H2,1-3H3/t19-/m0/s1 |
InChI Key | XTBZRPYCQNETRR-IBGZPJMESA-N |
Popularity | 0 references in papers |
Molecular Formula | C21H22O5 |
Molecular Weight | 354.40 g/mol |
Exact Mass | 354.14672380 g/mol |
Topological Polar Surface Area (TPSA) | 65.00 Ų |
XlogP | 4.50 |
There are no found synonyms. |
![2D Structure of (2S)-5-hydroxy-7-methoxy-2-[4-(3-methylbut-2-enoxy)phenyl]-2,3-dihydrochromen-4-one 2D Structure of (2S)-5-hydroxy-7-methoxy-2-[4-(3-methylbut-2-enoxy)phenyl]-2,3-dihydrochromen-4-one](https://plantaedb.com/storage/docs/compounds/2023/11/2s-5-hydroxy-7-methoxy-2-4-3-methylbut-2-enoxyphenyl-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 |
---|---|---|---|---|---|
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 | 99.37% | 91.11% |
CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 95.44% | 94.45% |
CHEMBL3137262 | O60341 | LSD1/CoREST complex | 95.19% | 97.09% |
CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 95.04% | 85.14% |
CHEMBL4208 | P20618 | Proteasome component C5 | 95.02% | 90.00% |
CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 94.52% | 96.09% |
CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 93.30% | 99.15% |
CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 93.28% | 99.17% |
CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 90.90% | 95.56% |
CHEMBL2581 | P07339 | Cathepsin D | 90.52% | 98.95% |
CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 90.49% | 94.00% |
CHEMBL1929 | P47989 | Xanthine dehydrogenase | 89.56% | 96.12% |
CHEMBL2243 | O00519 | Anandamide amidohydrolase | 89.10% | 97.53% |
CHEMBL3401 | O75469 | Pregnane X receptor | 88.49% | 94.73% |
CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 88.32% | 86.33% |
CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 86.53% | 95.89% |
CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 85.88% | 89.00% |
CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 84.85% | 99.23% |
CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 82.90% | 92.62% |
CHEMBL215 | P09917 | Arachidonate 5-lipoxygenase | 82.83% | 92.68% |
CHEMBL2007 | P16234 | Platelet-derived growth factor receptor alpha | 80.72% | 91.07% |
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.
Boronia coerulescens |
Glycosmis chlorosperma |
PubChem | 101674019 |
LOTUS | LTS0185381 |
wikiData | Q105341445 |