3-[4-Hydroxy-2-[2-(3-hydroxyphenyl)ethyl]-6-methoxyphenyl]-7-methoxy-9,10-dihydrophenanthrene-2,5-diol
| Internal ID | 6653acb6-80f8-4756-b6de-87c7ec6aecf6 |
| Taxonomy | Benzenoids > Naphthalenes > Phenylnaphthalenes |
| IUPAC Name | 3-[4-hydroxy-2-[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)O)CCC5=CC(=CC=C5)O)C(=C1)O |
| SMILES (Isomeric) | COC1=CC2=C(C3=CC(=C(C=C3CC2)O)C4=C(C=C(C=C4OC)O)CCC5=CC(=CC=C5)O)C(=C1)O |
| InChI | InChI=1S/C30H28O6/c1-35-23-12-20-9-8-18-13-26(33)25(16-24(18)29(20)27(34)15-23)30-19(11-22(32)14-28(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 | KWMDNHJUAIUJHS-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-[4-Hydroxy-2-[2-(3-hydroxyphenyl)ethyl]-6-methoxyphenyl]-7-methoxy-9,10-dihydrophenanthrene-2,5-diol](https://plantaedb.com/storage/docs/compounds/2023/11/92430030-84d2-11ee-b10f-eb40399e1c09.jpg "2D Structure of 3-[4-Hydroxy-2-[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 | 99.06% | 89.76% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 98.41% | 96.09% |
| CHEMBL2581 | P07339 | Cathepsin D | 97.66% | 98.95% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 97.11% | 91.11% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 95.28% | 86.33% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 94.98% | 95.56% |
| CHEMBL3192 | Q9BY41 | Histone deacetylase 8 | 94.73% | 93.99% |
| CHEMBL335 | P18031 | Protein-tyrosine phosphatase 1B | 94.29% | 95.17% |
| CHEMBL1966 | Q02127 | Dihydroorotate dehydrogenase | 94.01% | 96.09% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 93.94% | 91.49% |
| CHEMBL2535 | P11166 | Glucose transporter | 93.86% | 98.75% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 91.03% | 99.17% |
| CHEMBL226 | P30542 | Adenosine A1 receptor | 90.55% | 95.93% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 90.33% | 90.00% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 89.45% | 94.00% |
| CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 89.36% | 95.89% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 89.02% | 95.89% |
| CHEMBL5203 | P33316 | dUTP pyrophosphatase | 88.96% | 99.18% |
| CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 87.34% | 99.15% |
| CHEMBL2041 | P07949 | Tyrosine-protein kinase receptor RET | 85.96% | 91.79% |
| CHEMBL3231 | Q13464 | Rho-associated protein kinase 1 | 85.76% | 95.55% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 85.15% | 92.62% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 84.64% | 94.73% |
| CHEMBL2288 | Q13526 | Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1 | 82.90% | 91.71% |
| CHEMBL4581 | P52732 | Kinesin-like protein 1 | 80.60% | 93.18% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 80.37% | 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.
| Pholidota chinensis |
| PubChem | 102477415 |
| LOTUS | LTS0058372 |
| wikiData | Q105147021 |