3H-3,10b-Ethanonaphtho(1,2-c)-1,2-dioxin-7-carboxylic acid, 5,6,6a,7,8,9,10,10a-octahydro-7,10a-dimethyl-3-(1-methylethyl)-
| Internal ID | a5d08e0e-a7ba-4ed5-9ffb-2cf4f57a907d |
| Taxonomy | Organoheterocyclic compounds > Dioxanes > 1,2-dioxanes |
| IUPAC Name | 2,6-dimethyl-12-propan-2-yl-13,14-dioxatetracyclo[10.2.2.01,10.02,7]hexadec-10-ene-6-carboxylic acid |
| SMILES (Canonical) | CC(C)C12CCC3(C(=C1)CCC4C3(CCCC4(C)C(=O)O)C)OO2 |
| SMILES (Isomeric) | CC(C)C12CCC3(C(=C1)CCC4C3(CCCC4(C)C(=O)O)C)OO2 |
| InChI | InChI=1S/C20H30O4/c1-13(2)19-10-11-20(24-23-19)14(12-19)6-7-15-17(3,16(21)22)8-5-9-18(15,20)4/h12-13,15H,5-11H2,1-4H3,(H,21,22) |
| InChI Key | OOHFJWCHEFCJDC-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C20H30O4 |
| Molecular Weight | 334.40 g/mol |
| Exact Mass | 334.21440943 g/mol |
| Topological Polar Surface Area (TPSA) | 55.80 Ų |
| XlogP | 3.80 |
| NSC 406630 |
| 3H-3,10b-Ethanonaphtho(1,2-c)-1,2-dioxin-7-carboxylic acid, 5,6,6a,7,8,9,10,10a-octahydro-7,10a-dimethyl-3-(1-methylethyl)- |
| NSC406630 |
| DTXSID00996515 |
| NSC-406630 |
| (1R,2S,6R,7R,12R)-2,6-dimethyl-12-propan-2-yl-13,14-dioxatetracyclo[10.2.2.0^{1,10.0^{2,7]hexadec-10-ene-6-carboxylic acid |
| 4b,8-Dimethyl-2-(propan-2-yl)-3,4,4b,5,6,7,8,8a,9,10-decahydro-2H-2,4a-epidioxyphenanthrene-8-carboxylic acid |
| 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 |
|---|---|---|---|---|
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 94.43% | 96.09% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 92.31% | 91.11% |
| CHEMBL2581 | P07339 | Cathepsin D | 89.38% | 98.95% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 88.48% | 97.25% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 88.44% | 94.45% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 86.21% | 100.00% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 84.27% | 90.71% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 84.06% | 97.09% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 83.65% | 95.56% |
| CHEMBL4026 | P40763 | Signal transducer and activator of transcription 3 | 83.37% | 82.69% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 83.26% | 99.23% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 82.09% | 91.19% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 81.23% | 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.
| Abies sibirica |
| Chenopodium murale |
| Farsetia aegyptia |
| Juniperus sabina |
| Sedum sarmentosum |
| PubChem | 347775 |
| LOTUS | LTS0191701 |
| wikiData | Q105124159 |