2,8-Dihydroxy-6-methoxy-1,1,7-trimethyl-2,3,10,10a-tetrahydrophenanthren-9-one
| Internal ID | f5319ec9-4fc5-47bd-89c1-1409b9b8798d |
| Taxonomy | Benzenoids > Phenanthrenes and derivatives > Hydrophenanthrenes |
| IUPAC Name | 2,8-dihydroxy-6-methoxy-1,1,7-trimethyl-2,3,10,10a-tetrahydrophenanthren-9-one |
| SMILES (Canonical) | CC1=C(C=C2C3=CCC(C(C3CC(=O)C2=C1O)(C)C)O)OC |
| SMILES (Isomeric) | CC1=C(C=C2C3=CCC(C(C3CC(=O)C2=C1O)(C)C)O)OC |
| InChI | InChI=1S/C18H22O4/c1-9-14(22-4)7-11-10-5-6-15(20)18(2,3)12(10)8-13(19)16(11)17(9)21/h5,7,12,15,20-21H,6,8H2,1-4H3 |
| InChI Key | GTBQRBNYHGLOQF-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C18H22O4 |
| Molecular Weight | 302.40 g/mol |
| Exact Mass | 302.15180918 g/mol |
| Topological Polar Surface Area (TPSA) | 66.80 Ų |
| XlogP | 2.90 |
| 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 | 96.48% | 91.11% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 95.19% | 95.56% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 93.28% | 96.09% |
| CHEMBL2581 | P07339 | Cathepsin D | 93.15% | 98.95% |
| CHEMBL3880 | P07900 | Heat shock protein HSP 90-alpha | 91.78% | 96.21% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 88.97% | 86.33% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 88.42% | 94.00% |
| CHEMBL4657 | Q6V1X1 | Dipeptidyl peptidase VIII | 88.40% | 97.21% |
| CHEMBL241 | Q14432 | Phosphodiesterase 3A | 87.80% | 92.94% |
| CHEMBL4793 | Q86TI2 | Dipeptidyl peptidase IX | 87.65% | 96.95% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 87.32% | 89.00% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 87.15% | 95.89% |
| CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 86.93% | 99.15% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 86.11% | 85.14% |
| CHEMBL1937 | Q92769 | Histone deacetylase 2 | 85.64% | 94.75% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 85.29% | 90.00% |
| CHEMBL4303 | P08238 | Heat shock protein HSP 90-beta | 82.51% | 96.77% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 80.67% | 99.23% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 80.39% | 94.45% |
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.
| Byrsonima microphylla |
| PubChem | 73040474 |
| LOTUS | LTS0098818 |
| wikiData | Q105018417 |