(3S)-7-(4-hydroxyphenyl)-5-methoxy-2,2-dimethyl-3,4-dihydrochromen-3-ol
| Internal ID | b9e8b791-2393-4ef9-b9c1-355fb85bb62f |
| Taxonomy | Organoheterocyclic compounds > Benzopyrans > 1-benzopyrans > 2,2-dimethyl-1-benzopyrans |
| IUPAC Name | (3S)-7-(4-hydroxyphenyl)-5-methoxy-2,2-dimethyl-3,4-dihydrochromen-3-ol |
| SMILES (Canonical) | CC1(C(CC2=C(O1)C=C(C=C2OC)C3=CC=C(C=C3)O)O)C |
| SMILES (Isomeric) | CC1([C@H](CC2=C(O1)C=C(C=C2OC)C3=CC=C(C=C3)O)O)C |
| InChI | InChI=1S/C18H20O4/c1-18(2)17(20)10-14-15(21-3)8-12(9-16(14)22-18)11-4-6-13(19)7-5-11/h4-9,17,19-20H,10H2,1-3H3/t17-/m0/s1 |
| InChI Key | WSHRCZSQUIEWRF-KRWDZBQOSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C18H20O4 |
| Molecular Weight | 300.30 g/mol |
| Exact Mass | 300.13615911 g/mol |
| Topological Polar Surface Area (TPSA) | 58.90 Ų |
| XlogP | 3.20 |
| There are no found synonyms. |
| 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 | 97.37% | 91.11% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 96.45% | 96.09% |
| CHEMBL241 | Q14432 | Phosphodiesterase 3A | 95.36% | 92.94% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 92.82% | 86.33% |
| CHEMBL3438 | Q05513 | Protein kinase C zeta | 92.04% | 88.48% |
| CHEMBL242 | Q92731 | Estrogen receptor beta | 90.10% | 98.35% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 89.66% | 94.45% |
| CHEMBL1907 | P15144 | Aminopeptidase N | 89.57% | 93.31% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 89.36% | 94.00% |
| CHEMBL2581 | P07339 | Cathepsin D | 87.72% | 98.95% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 87.35% | 89.00% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 87.16% | 95.89% |
| CHEMBL5339 | Q5NUL3 | G-protein coupled receptor 120 | 86.42% | 95.78% |
| CHEMBL4478 | Q00975 | Voltage-gated N-type calcium channel alpha-1B subunit | 85.64% | 97.14% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 84.67% | 85.14% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 84.47% | 95.56% |
| CHEMBL1944 | P08473 | Neprilysin | 82.75% | 92.63% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 81.95% | 99.17% |
| CHEMBL4630 | O14757 | Serine/threonine-protein kinase Chk1 | 80.61% | 97.03% |
| CHEMBL4973 | P43004 | Excitatory amino acid transporter 2 | 80.23% | 98.75% |
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.
| Garcinia linii |
| PubChem | 163027714 |
| LOTUS | LTS0073092 |
| wikiData | Q105311861 |