(1S,3R,7R,9R,10S,12S,14S)-12,14-dihydroxy-1,9-dimethyl-4-methylidene-6,13-dioxatricyclo[8.4.0.03,7]tetradecan-5-one
| Internal ID | 95df8da1-975b-4b12-9e68-eaf908c1efe2 |
| Taxonomy | Organoheterocyclic compounds > Oxanes |
| IUPAC Name | (1S,3R,7R,9R,10S,12S,14S)-12,14-dihydroxy-1,9-dimethyl-4-methylidene-6,13-dioxatricyclo[8.4.0.03,7]tetradecan-5-one |
| SMILES (Canonical) | CC1CC2C(CC3(C1CC(OC3O)O)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)O)C)C(=C)C(=O)O2 |
| InChI | InChI=1S/C15H22O5/c1-7-4-11-9(8(2)13(17)19-11)6-15(3)10(7)5-12(16)20-14(15)18/h7,9-12,14,16,18H,2,4-6H2,1,3H3/t7-,9-,10+,11-,12+,14+,15+/m1/s1 |
| InChI Key | PYINVOHSOZSEPB-BAXUCZHSSA-N |
| Popularity | 1 reference in papers |
| Molecular Formula | C15H22O5 |
| Molecular Weight | 282.33 g/mol |
| Exact Mass | 282.14672380 g/mol |
| Topological Polar Surface Area (TPSA) | 76.00 Ų |
| XlogP | 1.70 |
| There are no found synonyms. |
![2D Structure of (1S,3R,7R,9R,10S,12S,14S)-12,14-dihydroxy-1,9-dimethyl-4-methylidene-6,13-dioxatricyclo[8.4.0.03,7]tetradecan-5-one](https://plantaedb.com/storage/docs/compounds/2023/11/78628250-87bc-11ee-b23e-2b5a24f7eec6.jpg "2D Structure of (1S,3R,7R,9R,10S,12S,14S)-12,14-dihydroxy-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 |
|---|---|---|---|---|
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 95.26% | 85.14% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 94.00% | 91.11% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 92.74% | 97.25% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 90.01% | 95.56% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 88.52% | 97.09% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 88.16% | 90.17% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 84.47% | 99.23% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 84.38% | 94.45% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 83.97% | 96.09% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 83.40% | 100.00% |
| CHEMBL3572 | P11597 | Cholesteryl ester transfer protein | 81.58% | 92.67% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 81.22% | 86.33% |
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.
| Hymenoxys odorata |
| PubChem | 14488512 |
| LOTUS | LTS0129787 |
| wikiData | Q105216600 |