(1S,4S,7S,8R,9R,10S)-7-(furan-3-yl)-8-hydroxy-9-methyl-6,16-dioxatetracyclo[8.7.0.01,14.04,9]heptadec-12-ene-5,15-dione
Internal ID | c5556dd9-edae-4b2a-9930-c2f9221a2789 |
Taxonomy | Organoheterocyclic compounds > Naphthopyrans |
IUPAC Name | (1S,4S,7S,8R,9R,10S)-7-(furan-3-yl)-8-hydroxy-9-methyl-6,16-dioxatetracyclo[8.7.0.01,14.04,9]heptadec-12-ene-5,15-dione |
SMILES (Canonical) | CC12C(CCC34C1CC=CC3C(=O)OC4)C(=O)OC(C2O)C5=COC=C5 |
SMILES (Isomeric) | C[C@]12[C@H](CC[C@]34[C@@H]1CC=CC3C(=O)OC4)C(=O)O[C@H]([C@@H]2O)C5=COC=C5 |
InChI | InChI=1S/C20H22O6/c1-19-12(18(23)26-15(16(19)21)11-6-8-24-9-11)5-7-20-10-25-17(22)13(20)3-2-4-14(19)20/h2-3,6,8-9,12-16,21H,4-5,7,10H2,1H3/t12-,13?,14-,15+,16+,19+,20-/m1/s1 |
InChI Key | LUULUVJLHOXOBF-WYQGRMIKSA-N |
Popularity | 0 references in papers |
Molecular Formula | C20H22O6 |
Molecular Weight | 358.40 g/mol |
Exact Mass | 358.14163842 g/mol |
Topological Polar Surface Area (TPSA) | 86.00 Ų |
XlogP | 1.80 |
There are no found synonyms. |
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 | 98.28% | 91.11% |
CHEMBL3137262 | O60341 | LSD1/CoREST complex | 94.57% | 97.09% |
CHEMBL4040 | P28482 | MAP kinase ERK2 | 94.16% | 83.82% |
CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 93.69% | 94.45% |
CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 92.36% | 95.56% |
CHEMBL4026 | P40763 | Signal transducer and activator of transcription 3 | 91.30% | 82.69% |
CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 90.70% | 96.09% |
CHEMBL2581 | P07339 | Cathepsin D | 90.21% | 98.95% |
CHEMBL1994 | P08235 | Mineralocorticoid receptor | 88.76% | 100.00% |
CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 87.80% | 89.00% |
CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 87.50% | 95.89% |
CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 87.45% | 99.23% |
CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 87.09% | 86.33% |
CHEMBL221 | P23219 | Cyclooxygenase-1 | 85.81% | 90.17% |
CHEMBL4227 | P25090 | Lipoxin A4 receptor | 81.90% | 100.00% |
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.
Salvia splendens |
PubChem | 163186470 |
LOTUS | LTS0175194 |
wikiData | Q105157660 |