7-[(1,2,4a-trimethyl-5-methylidene-3,4,6,7,8,8a-hexahydro-2H-naphthalen-1-yl)methyl]-1,3-benzoxazole-5,6-diol
| Internal ID | 55471c66-06d2-4c5a-b5c9-41419f0d0f55 |
| Taxonomy | Organoheterocyclic compounds > Benzoxazoles |
| IUPAC Name | 7-[(1,2,4a-trimethyl-5-methylidene-3,4,6,7,8,8a-hexahydro-2H-naphthalen-1-yl)methyl]-1,3-benzoxazole-5,6-diol |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C22H29NO3/c1-13-6-5-7-18-21(13,3)9-8-14(2)22(18,4)11-15-19(25)17(24)10-16-20(15)26-12-23-16/h10,12,14,18,24-25H,1,5-9,11H2,2-4H3 |
| InChI Key | VRCMSDQYPBPHCD-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C22H29NO3 |
| Molecular Weight | 355.50 g/mol |
| Exact Mass | 355.21474379 g/mol |
| Topological Polar Surface Area (TPSA) | 66.50 Ų |
| XlogP | 6.10 |
| There are no found synonyms. |
![2D Structure of 7-[(1,2,4a-trimethyl-5-methylidene-3,4,6,7,8,8a-hexahydro-2H-naphthalen-1-yl)methyl]-1,3-benzoxazole-5,6-diol](https://plantaedb.com/storage/docs/compounds/2023/11/503dc870-864a-11ee-b366-2993dc05a5f3.jpg "2D Structure of 7-[(1,2,4a-trimethyl-5-methylidene-3,4,6,7,8,8a-hexahydro-2H-naphthalen-1-yl)methyl]-1,3-benzoxazole-5,6-diol")
| 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 | 99.43% | 91.11% |
| CHEMBL241 | Q14432 | Phosphodiesterase 3A | 93.22% | 92.94% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 91.96% | 91.49% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 87.37% | 94.00% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 86.93% | 97.09% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 86.54% | 86.33% |
| CHEMBL233 | P35372 | Mu opioid receptor | 86.54% | 97.93% |
| CHEMBL1937 | Q92769 | Histone deacetylase 2 | 84.90% | 94.75% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 84.46% | 97.25% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 84.34% | 89.00% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 84.07% | 100.00% |
| CHEMBL2243 | O00519 | Anandamide amidohydrolase | 83.40% | 97.53% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 83.40% | 92.62% |
| CHEMBL3038469 | P24941 | CDK2/Cyclin A | 83.21% | 91.38% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 83.19% | 96.09% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 83.16% | 95.56% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 82.00% | 95.89% |
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.
| There are no matching plants. |
| PubChem | 75597843 |
| LOTUS | LTS0200184 |
| wikiData | Q105291668 |