(1S,4S,7S,8R,9R,10S,11R,14R)-7-(furan-3-yl)-8,11-dihydroxy-9-methyl-6,16-dioxatetracyclo[8.7.0.01,14.04,9]heptadec-12-ene-5,15-dione
Internal ID | 34db5176-3787-40f7-8a33-61bb9e56db35 |
Taxonomy | Organoheterocyclic compounds > Naphthopyrans |
IUPAC Name | (1S,4S,7S,8R,9R,10S,11R,14R)-7-(furan-3-yl)-8,11-dihydroxy-9-methyl-6,16-dioxatetracyclo[8.7.0.01,14.04,9]heptadec-12-ene-5,15-dione |
SMILES (Canonical) | CC12C(CCC34C1C(C=CC3C(=O)OC4)O)C(=O)OC(C2O)C5=COC=C5 |
SMILES (Isomeric) | C[C@]12[C@H](CC[C@]34[C@@H]1[C@@H](C=C[C@H]3C(=O)OC4)O)C(=O)O[C@H]([C@@H]2O)C5=COC=C5 |
InChI | InChI=1S/C20H22O7/c1-19-11(18(24)27-14(16(19)22)10-5-7-25-8-10)4-6-20-9-26-17(23)12(20)2-3-13(21)15(19)20/h2-3,5,7-8,11-16,21-22H,4,6,9H2,1H3/t11-,12+,13-,14+,15-,16+,19+,20-/m1/s1 |
InChI Key | IQUJFSKKVRRPNT-YRIGGZFGSA-N |
Popularity | 0 references in papers |
Molecular Formula | C20H22O7 |
Molecular Weight | 374.40 g/mol |
Exact Mass | 374.13655304 g/mol |
Topological Polar Surface Area (TPSA) | 106.00 Ų |
XlogP | 0.70 |
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 |
---|---|---|---|---|
CHEMBL4040 | P28482 | MAP kinase ERK2 | 98.36% | 83.82% |
CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 98.35% | 91.11% |
CHEMBL3137262 | O60341 | LSD1/CoREST complex | 94.09% | 97.09% |
CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 92.11% | 95.56% |
CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 91.03% | 86.33% |
CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 90.76% | 96.09% |
CHEMBL2581 | P07339 | Cathepsin D | 90.09% | 98.95% |
CHEMBL1994 | P08235 | Mineralocorticoid receptor | 88.68% | 100.00% |
CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 88.36% | 99.23% |
CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 86.69% | 89.00% |
CHEMBL4026 | P40763 | Signal transducer and activator of transcription 3 | 86.03% | 82.69% |
CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 85.84% | 95.89% |
CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 84.06% | 94.45% |
CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 82.51% | 97.25% |
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 | 52914116 |
LOTUS | LTS0057991 |
wikiData | Q105118607 |