3-(2-Hydroxy-4,7-dimethoxyphenanthren-1-yl)-7-methoxy-9,10-dihydrophenanthrene-2,5-diol
| Internal ID | 75fcd197-6761-4dbb-80a5-b7a369611eee |
| Taxonomy | Benzenoids > Phenanthrenes and derivatives > Phenanthrols |
| IUPAC Name | 3-(2-hydroxy-4,7-dimethoxyphenanthren-1-yl)-7-methoxy-9,10-dihydrophenanthrene-2,5-diol |
| SMILES (Canonical) | COC1=CC2=C(C=C1)C3=C(C=C(C(=C3C=C2)C4=C(C=C5CCC6=C(C5=C4)C(=CC(=C6)OC)O)O)O)OC |
| SMILES (Isomeric) | COC1=CC2=C(C=C1)C3=C(C=C(C(=C3C=C2)C4=C(C=C5CCC6=C(C5=C4)C(=CC(=C6)OC)O)O)O)OC |
| InChI | InChI=1S/C31H26O6/c1-35-19-7-9-21-16(10-19)6-8-22-30(27(34)15-28(37-3)31(21)22)24-14-23-17(12-25(24)32)4-5-18-11-20(36-2)13-26(33)29(18)23/h6-15,32-34H,4-5H2,1-3H3 |
| InChI Key | RTUIXFQVMUYSJQ-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 | 99.01% | 91.11% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 98.33% | 91.49% |
| CHEMBL2041 | P07949 | Tyrosine-protein kinase receptor RET | 97.96% | 91.79% |
| CHEMBL215 | P09917 | Arachidonate 5-lipoxygenase | 95.06% | 92.68% |
| CHEMBL3192 | Q9BY41 | Histone deacetylase 8 | 94.90% | 93.99% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 94.75% | 95.56% |
| CHEMBL240 | Q12809 | HERG | 94.71% | 89.76% |
| CHEMBL241 | Q14432 | Phosphodiesterase 3A | 92.57% | 92.94% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 92.40% | 94.00% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 92.08% | 90.00% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 91.64% | 96.09% |
| CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 90.48% | 99.15% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 89.92% | 99.17% |
| CHEMBL2581 | P07339 | Cathepsin D | 89.43% | 98.95% |
| CHEMBL2535 | P11166 | Glucose transporter | 89.02% | 98.75% |
| CHEMBL5747 | Q92793 | CREB-binding protein | 88.86% | 95.12% |
| CHEMBL3438 | Q05513 | Protein kinase C zeta | 87.00% | 88.48% |
| CHEMBL2056 | P21728 | Dopamine D1 receptor | 86.51% | 91.00% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 86.50% | 86.33% |
| CHEMBL3085 | P43003 | Excitatory amino acid transporter 1 | 85.57% | 94.67% |
| CHEMBL3880 | P07900 | Heat shock protein HSP 90-alpha | 84.72% | 96.21% |
| CHEMBL1929 | P47989 | Xanthine dehydrogenase | 84.66% | 96.12% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 84.50% | 95.89% |
| CHEMBL5925 | P22413 | Ectonucleotide pyrophosphatase/phosphodiesterase family member 1 | 83.31% | 92.38% |
| CHEMBL242 | Q92731 | Estrogen receptor beta | 83.05% | 98.35% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 82.45% | 96.00% |
| CHEMBL2378 | P30307 | Dual specificity phosphatase Cdc25C | 82.25% | 96.67% |
| CHEMBL225 | P28335 | Serotonin 2c (5-HT2c) receptor | 82.19% | 89.62% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 81.62% | 94.45% |
| CHEMBL4581 | P52732 | Kinesin-like protein 1 | 81.23% | 93.18% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 81.05% | 92.62% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 80.53% | 89.00% |
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 | 122178804 |
| LOTUS | LTS0133178 |
| wikiData | Q105245412 |