7,3',4'-Tri-O-methyleriodictyol
| Internal ID | 9b3b721c-39e3-45d2-83be-96b649fcebe9 |
| Taxonomy | Phenylpropanoids and polyketides > Flavonoids > O-methylated flavonoids > 7-O-methylated flavonoids |
| IUPAC Name | (2S)-2-(3,4-dimethoxyphenyl)-5-hydroxy-7-methoxy-2,3-dihydrochromen-4-one |
| SMILES (Canonical) | COC1=C(C=C(C=C1)C2CC(=O)C3=C(C=C(C=C3O2)OC)O)OC |
| SMILES (Isomeric) | COC1=C(C=C(C=C1)[C@@H]2CC(=O)C3=C(C=C(C=C3O2)OC)O)OC |
| InChI | InChI=1S/C18H18O6/c1-21-11-7-12(19)18-13(20)9-15(24-17(18)8-11)10-4-5-14(22-2)16(6-10)23-3/h4-8,15,19H,9H2,1-3H3/t15-/m0/s1 |
| InChI Key | MRFOCZPULZWYTJ-HNNXBMFYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C18H18O6 |
| Molecular Weight | 330.30 g/mol |
| Exact Mass | 330.11033829 g/mol |
| Topological Polar Surface Area (TPSA) | 74.20 Ų |
| XlogP | 3.00 |
| 7,3',4'-Tri-O-methyleriodictyol |
| (S)-2-(3,4-Dimethoxyphenyl)-5-hydroxy-7-methoxychroman-4-one |
| (2S)-2-(3,4-Dimethoxyphenyl)-5-hydroxy-7-methoxy-2,3-dihydrochromen-4-one |
| 7,3 inverted exclamation marka,4 inverted exclamation marka-Tri-O-methyleriodictyol |
| HY-N9110 |
| 7,3??,4??-Tri-O-methyleriodictyol |
| AKOS040761231 |
| FS-6904 |
| CS-0158764 |
| 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 |
|---|---|---|---|---|
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 97.96% | 85.14% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 96.87% | 91.11% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 96.39% | 96.09% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 93.50% | 95.56% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 92.08% | 97.09% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 91.82% | 90.00% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 89.81% | 94.00% |
| CHEMBL2581 | P07339 | Cathepsin D | 89.42% | 98.95% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 89.38% | 94.45% |
| CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 89.29% | 99.15% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 88.91% | 95.89% |
| CHEMBL241 | Q14432 | Phosphodiesterase 3A | 88.38% | 92.94% |
| CHEMBL2535 | P11166 | Glucose transporter | 87.76% | 98.75% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 87.57% | 89.00% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 87.27% | 99.23% |
| CHEMBL215 | P09917 | Arachidonate 5-lipoxygenase | 87.14% | 92.68% |
| CHEMBL3880 | P07900 | Heat shock protein HSP 90-alpha | 86.85% | 96.21% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 86.33% | 86.33% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 85.00% | 99.17% |
| CHEMBL4478 | Q00975 | Voltage-gated N-type calcium channel alpha-1B subunit | 82.39% | 97.14% |
| CHEMBL3192 | Q9BY41 | Histone deacetylase 8 | 81.56% | 93.99% |
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.
| Pogostemon cablin |
| PubChem | 14078482 |
| LOTUS | LTS0091820 |
| wikiData | Q105170528 |