(1S,3R,7R,9R,10S,12R,14R)-14-hydroxy-12-methoxy-1,9-dimethyl-4-methylidene-6,13-dioxatricyclo[8.4.0.03,7]tetradecan-5-one
| Internal ID | 8e5d713b-e405-48dc-bf02-5079c640e075 |
| Taxonomy | Organoheterocyclic compounds > Oxanes |
| IUPAC Name | (1S,3R,7R,9R,10S,12R,14R)-14-hydroxy-12-methoxy-1,9-dimethyl-4-methylidene-6,13-dioxatricyclo[8.4.0.03,7]tetradecan-5-one |
| SMILES (Canonical) | CC1CC2C(CC3(C1CC(OC3O)OC)C)C(=C)C(=O)O2 |
| SMILES (Isomeric) | C[C@@H]1C[C@@H]2[C@H](C[C@]3([C@H]1C[C@@H](O[C@H]3O)OC)C)C(=C)C(=O)O2 |
| InChI | InChI=1S/C16H24O5/c1-8-5-12-10(9(2)14(17)20-12)7-16(3)11(8)6-13(19-4)21-15(16)18/h8,10-13,15,18H,2,5-7H2,1,3-4H3/t8-,10-,11+,12-,13-,15-,16+/m1/s1 |
| InChI Key | OQKWMUHOISHMAG-IJKWJPDOSA-N |
| Popularity | 2 references in papers |
| Molecular Formula | C16H24O5 |
| Molecular Weight | 296.36 g/mol |
| Exact Mass | 296.16237386 g/mol |
| Topological Polar Surface Area (TPSA) | 65.00 Ų |
| XlogP | 2.30 |
| There are no found synonyms. |
![2D Structure of (1S,3R,7R,9R,10S,12R,14R)-14-hydroxy-12-methoxy-1,9-dimethyl-4-methylidene-6,13-dioxatricyclo[8.4.0.03,7]tetradecan-5-one](https://plantaedb.com/storage/docs/compounds/2023/11/a43c7f70-8659-11ee-a45e-7bf27f788d55.jpg "2D Structure of (1S,3R,7R,9R,10S,12R,14R)-14-hydroxy-12-methoxy-1,9-dimethyl-4-methylidene-6,13-dioxatricyclo[8.4.0.03,7]tetradecan-5-one")
| 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 | 93.99% | 91.11% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 93.57% | 97.25% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 93.29% | 85.14% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 91.50% | 96.09% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 90.22% | 94.45% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 89.80% | 90.17% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 89.42% | 95.56% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 89.29% | 97.09% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 88.59% | 99.23% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 87.79% | 86.33% |
| CHEMBL241 | Q14432 | Phosphodiesterase 3A | 85.14% | 92.94% |
| CHEMBL4478 | Q00975 | Voltage-gated N-type calcium channel alpha-1B subunit | 84.95% | 97.14% |
| CHEMBL3572 | P11597 | Cholesteryl ester transfer protein | 84.88% | 92.67% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 83.24% | 94.00% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 82.57% | 100.00% |
| CHEMBL2094127 | P06493 | Cyclin-dependent kinase 1/cyclin B | 80.53% | 96.00% |
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.
| Geigeria ornativa |
| Hymenoxys subintegra |
| PubChem | 14414295 |
| LOTUS | LTS0052214 |
| wikiData | Q105196915 |