(1S,9R,12S,16R)-6-ethyl-14,15-dihydroxy-1,12-dimethyl-5,10-dioxatetracyclo[7.6.1.02,7.012,16]hexadeca-2,6-diene-4,11-dione
| Internal ID | 55bf183c-ef44-4cf4-8dc1-ff2b808ebc9c |
| Taxonomy | Organoheterocyclic compounds > Naphthopyrans |
| IUPAC Name | (1S,9R,12S,16R)-6-ethyl-14,15-dihydroxy-1,12-dimethyl-5,10-dioxatetracyclo[7.6.1.02,7.012,16]hexadeca-2,6-diene-4,11-dione |
| SMILES (Canonical) | CCC1=C2CC3C4C(CC(C(C4(C2=CC(=O)O1)C)O)O)(C(=O)O3)C |
| SMILES (Isomeric) | CCC1=C2C[C@@H]3[C@H]4[C@](CC(C([C@@]4(C2=CC(=O)O1)C)O)O)(C(=O)O3)C |
| InChI | InChI=1S/C18H22O6/c1-4-11-8-5-12-14-17(2,16(22)24-12)7-10(19)15(21)18(14,3)9(8)6-13(20)23-11/h6,10,12,14-15,19,21H,4-5,7H2,1-3H3/t10?,12-,14+,15?,17+,18-/m1/s1 |
| InChI Key | SOZHAXONMCJITF-LTSHJXGFSA-N |
| Popularity | 1 reference in papers |
| Molecular Formula | C18H22O6 |
| Molecular Weight | 334.40 g/mol |
| Exact Mass | 334.14163842 g/mol |
| Topological Polar Surface Area (TPSA) | 93.10 Ų |
| XlogP | 0.50 |
| There are no found synonyms. |
![2D Structure of (1S,9R,12S,16R)-6-ethyl-14,15-dihydroxy-1,12-dimethyl-5,10-dioxatetracyclo[7.6.1.02,7.012,16]hexadeca-2,6-diene-4,11-dione](https://plantaedb.com/storage/docs/compounds/2023/11/3d788260-826d-11ee-a88c-ed85f179de0d.jpg "2D Structure of (1S,9R,12S,16R)-6-ethyl-14,15-dihydroxy-1,12-dimethyl-5,10-dioxatetracyclo[7.6.1.02,7.012,16]hexadeca-2,6-diene-4,11-dione")
| 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 | 97.83% | 96.09% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 96.73% | 85.14% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 92.13% | 91.11% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 90.33% | 86.33% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 88.92% | 95.56% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 88.56% | 94.45% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 86.38% | 89.00% |
| CHEMBL2581 | P07339 | Cathepsin D | 86.34% | 98.95% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 84.44% | 92.62% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 83.23% | 97.25% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 82.79% | 97.09% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 81.63% | 94.00% |
| CHEMBL217 | P14416 | Dopamine D2 receptor | 81.01% | 95.62% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 80.75% | 100.00% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 80.72% | 94.73% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 80.56% | 99.23% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 80.15% | 90.00% |
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.
| Nageia nagi |
| PubChem | 162960623 |
| LOTUS | LTS0087497 |
| wikiData | Q105257291 |