1-(5-Hydroxy-2,2-dimethyl-3,4-dihydrochromen-6-yl)-3-(4-hydroxyphenyl)prop-2-en-1-one
Internal ID | e29deb6e-4ddb-4265-bcd6-2ed9817e5c2d |
Taxonomy | Phenylpropanoids and polyketides > Linear 1,3-diarylpropanoids > Chalcones and dihydrochalcones > 2-Hydroxychalcones |
IUPAC Name | 1-(5-hydroxy-2,2-dimethyl-3,4-dihydrochromen-6-yl)-3-(4-hydroxyphenyl)prop-2-en-1-one |
SMILES (Canonical) | CC1(CCC2=C(O1)C=CC(=C2O)C(=O)C=CC3=CC=C(C=C3)O)C |
SMILES (Isomeric) | CC1(CCC2=C(O1)C=CC(=C2O)C(=O)C=CC3=CC=C(C=C3)O)C |
InChI | InChI=1S/C20H20O4/c1-20(2)12-11-16-18(24-20)10-8-15(19(16)23)17(22)9-5-13-3-6-14(21)7-4-13/h3-10,21,23H,11-12H2,1-2H3 |
InChI Key | UDSAJERKQRQHJR-UHFFFAOYSA-N |
Popularity | 0 references in papers |
Molecular Formula | C20H20O4 |
Molecular Weight | 324.40 g/mol |
Exact Mass | 324.13615911 g/mol |
Topological Polar Surface Area (TPSA) | 66.80 Ų |
XlogP | 4.50 |
There are no found synonyms. |
![2D Structure of 1-(5-Hydroxy-2,2-dimethyl-3,4-dihydrochromen-6-yl)-3-(4-hydroxyphenyl)prop-2-en-1-one 2D Structure of 1-(5-Hydroxy-2,2-dimethyl-3,4-dihydrochromen-6-yl)-3-(4-hydroxyphenyl)prop-2-en-1-one](https://plantaedb.com/storage/docs/compounds/2023/11/1-5-hydroxy-22-dimethyl-34-dihydrochromen-6-yl-3-4-hydroxyphenylprop-2-en-1-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 | 99.12% | 91.11% |
CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 95.27% | 94.45% |
CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 92.13% | 95.56% |
CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 91.70% | 96.09% |
CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 90.85% | 86.33% |
CHEMBL2581 | P07339 | Cathepsin D | 90.37% | 98.95% |
CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 87.90% | 89.00% |
CHEMBL2288 | Q13526 | Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1 | 87.07% | 91.71% |
CHEMBL2107 | P61073 | C-X-C chemokine receptor type 4 | 86.21% | 93.10% |
CHEMBL242 | Q92731 | Estrogen receptor beta | 84.82% | 98.35% |
CHEMBL5852 | Q96P65 | Pyroglutamylated RFamide peptide receptor | 83.86% | 85.00% |
CHEMBL3091268 | Q92753 | Nuclear receptor ROR-beta | 82.77% | 95.50% |
CHEMBL3192 | Q9BY41 | Histone deacetylase 8 | 81.46% | 93.99% |
CHEMBL4208 | P20618 | Proteasome component C5 | 81.22% | 90.00% |
CHEMBL1994 | P08235 | Mineralocorticoid receptor | 80.82% | 100.00% |
CHEMBL206 | P03372 | Estrogen receptor alpha | 80.59% | 97.64% |
CHEMBL3137262 | O60341 | LSD1/CoREST complex | 80.59% | 97.09% |
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.
Angelica keiskei |
Dorstenia mannii |
Dorstenia zenkeri |
PubChem | 403813 |
LOTUS | LTS0125441 |
wikiData | Q105270494 |