1-(2-Hydroxy-4,7-dimethoxyphenanthren-1-yl)-4-methoxy-9,10-dihydrophenanthrene-2,7-diol
| Internal ID | b7a2d9ad-ab71-4e7d-8879-9cebad9b2ccb |
| Taxonomy | Benzenoids > Phenanthrenes and derivatives > Phenanthrols |
| IUPAC Name | 1-(2-hydroxy-4,7-dimethoxyphenanthren-1-yl)-4-methoxy-9,10-dihydrophenanthrene-2,7-diol |
| SMILES (Canonical) | COC1=CC2=C(C=C1)C3=C(C=C(C(=C3C=C2)C4=C5CCC6=C(C5=C(C=C4O)OC)C=CC(=C6)O)O)OC |
| SMILES (Isomeric) | COC1=CC2=C(C=C1)C3=C(C=C(C(=C3C=C2)C4=C5CCC6=C(C5=C(C=C4O)OC)C=CC(=C6)O)O)OC |
| InChI | InChI=1S/C31H26O6/c1-35-19-7-11-21-17(13-19)5-9-23-29(21)27(37-3)15-25(34)31(23)30-22-8-4-16-12-18(32)6-10-20(16)28(22)26(36-2)14-24(30)33/h5-7,9-15,32-34H,4,8H2,1-3H3 |
| InChI Key | NCJFUMIYGKGKEA-UHFFFAOYSA-N |
| Popularity | 1 reference in papers |
| Molecular Formula | C31H26O6 |
| Molecular Weight | 494.50 g/mol |
| Exact Mass | 494.17293854 g/mol |
| Topological Polar Surface Area (TPSA) | 88.40 Ų |
| XlogP | 6.80 |
| 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 | 99.64% | 91.11% |
| CHEMBL2041 | P07949 | Tyrosine-protein kinase receptor RET | 99.01% | 91.79% |
| CHEMBL242 | Q92731 | Estrogen receptor beta | 98.83% | 98.35% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 98.64% | 91.49% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 95.97% | 90.00% |
| CHEMBL1907 | P15144 | Aminopeptidase N | 94.62% | 93.31% |
| CHEMBL2535 | P11166 | Glucose transporter | 93.76% | 98.75% |
| CHEMBL240 | Q12809 | HERG | 93.31% | 89.76% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 93.19% | 99.17% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 92.31% | 94.00% |
| CHEMBL2056 | P21728 | Dopamine D1 receptor | 92.08% | 91.00% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 91.27% | 95.56% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 90.90% | 96.09% |
| CHEMBL241 | Q14432 | Phosphodiesterase 3A | 90.90% | 92.94% |
| CHEMBL2581 | P07339 | Cathepsin D | 90.40% | 98.95% |
| CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 90.14% | 99.15% |
| CHEMBL3192 | Q9BY41 | Histone deacetylase 8 | 90.02% | 93.99% |
| CHEMBL225 | P28335 | Serotonin 2c (5-HT2c) receptor | 89.86% | 89.62% |
| CHEMBL5747 | Q92793 | CREB-binding protein | 88.91% | 95.12% |
| CHEMBL3438 | Q05513 | Protein kinase C zeta | 88.71% | 88.48% |
| CHEMBL1966 | Q02127 | Dihydroorotate dehydrogenase | 88.56% | 96.09% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 87.96% | 86.33% |
| CHEMBL4630 | O14757 | Serine/threonine-protein kinase Chk1 | 87.77% | 97.03% |
| CHEMBL5339 | Q5NUL3 | G-protein coupled receptor 120 | 86.96% | 95.78% |
| CHEMBL5697 | Q9GZT9 | Egl nine homolog 1 | 86.56% | 93.40% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 86.46% | 94.45% |
| CHEMBL3231 | Q13464 | Rho-associated protein kinase 1 | 86.20% | 95.55% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 85.43% | 95.89% |
| CHEMBL3085 | P43003 | Excitatory amino acid transporter 1 | 85.08% | 94.67% |
| CHEMBL215 | P09917 | Arachidonate 5-lipoxygenase | 84.78% | 92.68% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 82.02% | 92.62% |
| CHEMBL2292 | Q13627 | Dual-specificity tyrosine-phosphorylation regulated kinase 1A | 81.31% | 93.24% |
| CHEMBL1293289 | P25440 | Bromodomain-containing protein 2 | 80.98% | 86.19% |
| CHEMBL1929 | P47989 | Xanthine dehydrogenase | 80.78% | 96.12% |
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.
| Bletilla striata |
| PubChem | 122178805 |
| LOTUS | LTS0138392 |
| wikiData | Q105177232 |