(3R,3aR,5'R,6aS,7R,8R,10R,10aR)-5'-(furan-3-yl)-3,10-dihydroxy-8-methylspiro[1,3,3a,4,5,6,6a,8,9,10-decahydrobenzo[d][2]benzofuran-7,3'-oxolane]-2'-one
Internal ID | 0b5525e3-729f-4113-b109-cb78b013194c |
Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Terpene lactones > Diterpene lactones |
IUPAC Name | (3R,3aR,5'R,6aS,7R,8R,10R,10aR)-5'-(furan-3-yl)-3,10-dihydroxy-8-methylspiro[1,3,3a,4,5,6,6a,8,9,10-decahydrobenzo[d][2]benzofuran-7,3'-oxolane]-2'-one |
SMILES (Canonical) | CC1CC(C23COC(C2CCCC3C14CC(OC4=O)C5=COC=C5)O)O |
SMILES (Isomeric) | C[C@@H]1C[C@H]([C@@]23CO[C@H]([C@@H]2CCC[C@@H]3[C@@]14C[C@@H](OC4=O)C5=COC=C5)O)O |
InChI | InChI=1S/C20H26O6/c1-11-7-16(21)20-10-25-17(22)13(20)3-2-4-15(20)19(11)8-14(26-18(19)23)12-5-6-24-9-12/h5-6,9,11,13-17,21-22H,2-4,7-8,10H2,1H3/t11-,13+,14-,15-,16-,17-,19-,20+/m1/s1 |
InChI Key | FPNYZEUDIBOJQA-IGXGDFQMSA-N |
Popularity | 0 references in papers |
Molecular Formula | C20H26O6 |
Molecular Weight | 362.40 g/mol |
Exact Mass | 362.17293854 g/mol |
Topological Polar Surface Area (TPSA) | 89.10 Ų |
XlogP | 1.90 |
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 |
---|---|---|---|---|
CHEMBL3137262 | O60341 | LSD1/CoREST complex | 96.17% | 97.09% |
CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 91.15% | 91.11% |
CHEMBL1994 | P08235 | Mineralocorticoid receptor | 90.67% | 100.00% |
CHEMBL221 | P23219 | Cyclooxygenase-1 | 90.17% | 90.17% |
CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 89.39% | 95.56% |
CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 87.98% | 89.00% |
CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 86.43% | 96.09% |
CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 85.24% | 86.33% |
CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 84.91% | 99.23% |
CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 84.22% | 85.14% |
CHEMBL241 | Q14432 | Phosphodiesterase 3A | 83.19% | 92.94% |
CHEMBL1951 | P21397 | Monoamine oxidase A | 82.64% | 91.49% |
CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 81.11% | 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.
Teucrium maghrebinum |
PubChem | 10761137 |
LOTUS | LTS0262532 |
wikiData | Q104664572 |