3-[2-Hydroxy-4-[2-(3-hydroxyphenyl)ethyl]-6-methoxyphenyl]-7-methoxy-9,10-dihydrophenanthrene-2,5-diol
| Internal ID | c932032a-0d9b-4c2c-a43a-cf42b6ed0f8a |
| Taxonomy | Lignans, neolignans and related compounds |
| IUPAC Name | 3-[2-hydroxy-4-[2-(3-hydroxyphenyl)ethyl]-6-methoxyphenyl]-7-methoxy-9,10-dihydrophenanthrene-2,5-diol |
| SMILES (Canonical) | COC1=CC2=C(C3=CC(=C(C=C3CC2)O)C4=C(C=C(C=C4OC)CCC5=CC(=CC=C5)O)O)C(=C1)O |
| SMILES (Isomeric) | COC1=CC2=C(C3=CC(=C(C=C3CC2)O)C4=C(C=C(C=C4OC)CCC5=CC(=CC=C5)O)O)C(=C1)O |
| InChI | InChI=1S/C30H28O6/c1-35-22-13-20-9-8-19-14-25(32)24(16-23(19)29(20)27(34)15-22)30-26(33)11-18(12-28(30)36-2)7-6-17-4-3-5-21(31)10-17/h3-5,10-16,31-34H,6-9H2,1-2H3 |
| InChI Key | OGMXCOLFDLJPDW-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C30H28O6 |
| Molecular Weight | 484.50 g/mol |
| Exact Mass | 484.18858861 g/mol |
| Topological Polar Surface Area (TPSA) | 99.40 Ų |
| XlogP | 6.20 |
| There are no found synonyms. |
![2D Structure of 3-[2-Hydroxy-4-[2-(3-hydroxyphenyl)ethyl]-6-methoxyphenyl]-7-methoxy-9,10-dihydrophenanthrene-2,5-diol](https://plantaedb.com/storage/docs/compounds/2023/11/87c34130-85c1-11ee-b65b-6d78c2f32dc6.jpg "2D Structure of 3-[2-Hydroxy-4-[2-(3-hydroxyphenyl)ethyl]-6-methoxyphenyl]-7-methoxy-9,10-dihydrophenanthrene-2,5-diol")
| 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 |
|---|---|---|---|---|
| CHEMBL240 | Q12809 | HERG | 98.73% | 89.76% |
| CHEMBL2581 | P07339 | Cathepsin D | 98.27% | 98.95% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 98.27% | 96.09% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 96.44% | 91.11% |
| CHEMBL1966 | Q02127 | Dihydroorotate dehydrogenase | 95.06% | 96.09% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 94.96% | 86.33% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 94.38% | 95.56% |
| CHEMBL2535 | P11166 | Glucose transporter | 93.35% | 98.75% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 91.73% | 99.17% |
| CHEMBL335 | P18031 | Protein-tyrosine phosphatase 1B | 91.57% | 95.17% |
| CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 91.55% | 95.89% |
| CHEMBL3192 | Q9BY41 | Histone deacetylase 8 | 91.53% | 93.99% |
| CHEMBL5203 | P33316 | dUTP pyrophosphatase | 90.80% | 99.18% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 89.77% | 90.00% |
| CHEMBL226 | P30542 | Adenosine A1 receptor | 89.57% | 95.93% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 89.57% | 95.89% |
| CHEMBL215 | P09917 | Arachidonate 5-lipoxygenase | 89.06% | 92.68% |
| CHEMBL2041 | P07949 | Tyrosine-protein kinase receptor RET | 88.19% | 91.79% |
| CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 87.82% | 99.15% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 87.12% | 94.00% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 86.91% | 91.49% |
| CHEMBL4581 | P52732 | Kinesin-like protein 1 | 85.64% | 93.18% |
| CHEMBL3231 | Q13464 | Rho-associated protein kinase 1 | 85.33% | 95.55% |
| CHEMBL2179 | P04062 | Beta-glucocerebrosidase | 84.83% | 85.31% |
| CHEMBL2288 | Q13526 | Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1 | 84.71% | 91.71% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 83.98% | 85.14% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 81.58% | 94.73% |
| CHEMBL4793 | Q86TI2 | Dipeptidyl peptidase IX | 80.97% | 96.95% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 80.03% | 92.62% |
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.
| Pholidota chinensis |
| PubChem | 102477416 |
| LOTUS | LTS0196656 |
| wikiData | Q105191720 |