5-(1-Ethoxyethyl)-7-methoxy-1,8-dimethyl-9,10-dihydrophenanthren-2-ol
| Internal ID | 429cd762-41b2-4db8-abae-1ab26f907108 |
| Taxonomy | Benzenoids > Phenanthrenes and derivatives > Hydrophenanthrenes |
| IUPAC Name | 5-(1-ethoxyethyl)-7-methoxy-1,8-dimethyl-9,10-dihydrophenanthren-2-ol |
| SMILES (Canonical) | CCOC(C)C1=CC(=C(C2=C1C3=C(CC2)C(=C(C=C3)O)C)C)OC |
| SMILES (Isomeric) | CCOC(C)C1=CC(=C(C2=C1C3=C(CC2)C(=C(C=C3)O)C)C)OC |
| InChI | InChI=1S/C21H26O3/c1-6-24-14(4)18-11-20(23-5)13(3)16-8-7-15-12(2)19(22)10-9-17(15)21(16)18/h9-11,14,22H,6-8H2,1-5H3 |
| InChI Key | HKDMRMBNAJOLLE-UHFFFAOYSA-N |
| Popularity | 1 reference in papers |
| Molecular Formula | C21H26O3 |
| Molecular Weight | 326.40 g/mol |
| Exact Mass | 326.18819469 g/mol |
| Topological Polar Surface Area (TPSA) | 38.70 Ų |
| XlogP | 4.60 |
| 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 |
|---|---|---|---|---|
| CHEMBL2581 | P07339 | Cathepsin D | 96.69% | 98.95% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 96.53% | 91.11% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 94.89% | 96.09% |
| CHEMBL2535 | P11166 | Glucose transporter | 91.50% | 98.75% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 89.57% | 95.56% |
| CHEMBL2041 | P07949 | Tyrosine-protein kinase receptor RET | 88.71% | 91.79% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 88.18% | 90.00% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 86.28% | 90.71% |
| CHEMBL242 | Q92731 | Estrogen receptor beta | 86.17% | 98.35% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 86.05% | 99.17% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 84.36% | 86.33% |
| CHEMBL225 | P28335 | Serotonin 2c (5-HT2c) receptor | 83.89% | 89.62% |
| CHEMBL261 | P00915 | Carbonic anhydrase I | 83.45% | 96.76% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 83.11% | 91.49% |
| CHEMBL4657 | Q6V1X1 | Dipeptidyl peptidase VIII | 81.65% | 97.21% |
| CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 81.38% | 99.15% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 81.31% | 94.00% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 80.93% | 95.89% |
| CHEMBL3880 | P07900 | Heat shock protein HSP 90-alpha | 80.53% | 96.21% |
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.
| Capsicum annuum |
| Juncus acutus |
| PubChem | 5317230 |
| LOTUS | LTS0212736 |
| wikiData | Q105374577 |