Monachosorin B
| Internal ID | b5c59a1a-b99a-4ae3-85be-dd08c699a22c |
| Taxonomy | Benzenoids > Indanes > Indanones |
| IUPAC Name | 6-(2-hydroxyethyl)-2-[[6-(2-hydroxyethyl)-7-methyl-1-oxo-2,3-dihydroinden-5-yl]methyl]-5,7-dimethyl-2,3-dihydroinden-1-one |
| SMILES (Canonical) | CC1=CC2=C(C(=C1CCO)C)C(=O)C(C2)CC3=C(C(=C4C(=C3)CCC4=O)C)CCO |
| SMILES (Isomeric) | CC1=CC2=C(C(=C1CCO)C)C(=O)C(C2)CC3=C(C(=C4C(=C3)CCC4=O)C)CCO |
| InChI | InChI=1S/C26H30O4/c1-14-10-19-13-20(26(30)25(19)15(2)21(14)6-8-27)12-18-11-17-4-5-23(29)24(17)16(3)22(18)7-9-28/h10-11,20,27-28H,4-9,12-13H2,1-3H3 |
| InChI Key | MHRLIGSUOLNOPY-UHFFFAOYSA-N |
| Popularity | 2 references in papers |
| Molecular Formula | C26H30O4 |
| Molecular Weight | 406.50 g/mol |
| Exact Mass | 406.21440943 g/mol |
| Topological Polar Surface Area (TPSA) | 74.60 Ų |
| XlogP | 3.60 |
| 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 | 95.61% | 98.95% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 95.08% | 91.11% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 90.99% | 95.56% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 90.18% | 97.25% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 89.66% | 86.33% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 85.22% | 96.09% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 84.47% | 89.00% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 83.85% | 95.89% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 83.57% | 90.71% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 82.37% | 92.62% |
| CHEMBL4581 | P52732 | Kinesin-like protein 1 | 81.20% | 93.18% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 81.08% | 100.00% |
| CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 80.87% | 95.89% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 80.84% | 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.
| Monachosorum arakii |
| Monachosorum maximowiczii |
| PubChem | 13854555 |
| LOTUS | LTS0184888 |
| wikiData | Q105164032 |