6-Hydroxy-6-methyl-3,9-dimethylidene-8-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3a,4,5,6a,7,8,9a,9b-octahydroazuleno[4,5-b]furan-2-one
Internal ID | 0664137e-5297-4f18-ad7f-21793b10c3f6 |
Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Terpene lactones > Sesquiterpene lactones > Guaianolides and derivatives |
IUPAC Name | 6-hydroxy-6-methyl-3,9-dimethylidene-8-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3a,4,5,6a,7,8,9a,9b-octahydroazuleno[4,5-b]furan-2-one |
SMILES (Canonical) | CC1(CCC2C(C3C1CC(C3=C)OC4C(C(C(C(O4)CO)O)O)O)OC(=O)C2=C)O |
SMILES (Isomeric) | CC1(CCC2C(C3C1CC(C3=C)OC4C(C(C(C(O4)CO)O)O)O)OC(=O)C2=C)O |
InChI | InChI=1S/C21H30O9/c1-8-10-4-5-21(3,27)11-6-12(9(2)14(11)18(10)30-19(8)26)28-20-17(25)16(24)15(23)13(7-22)29-20/h10-18,20,22-25,27H,1-2,4-7H2,3H3 |
InChI Key | FTIDKIAZUNXNCJ-UHFFFAOYSA-N |
Popularity | 0 references in papers |
Molecular Formula | C21H30O9 |
Molecular Weight | 426.50 g/mol |
Exact Mass | 426.18898253 g/mol |
Topological Polar Surface Area (TPSA) | 146.00 Ų |
XlogP | -0.90 |
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 |
---|---|---|---|---|
CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 97.43% | 97.25% |
CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 96.91% | 91.11% |
CHEMBL2996 | Q05655 | Protein kinase C delta | 94.24% | 97.79% |
CHEMBL3137262 | O60341 | LSD1/CoREST complex | 92.24% | 97.09% |
CHEMBL226 | P30542 | Adenosine A1 receptor | 91.29% | 95.93% |
CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 89.15% | 96.09% |
CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 88.65% | 94.45% |
CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 87.47% | 95.56% |
CHEMBL1994 | P08235 | Mineralocorticoid receptor | 86.20% | 100.00% |
CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 84.77% | 95.89% |
CHEMBL218 | P21554 | Cannabinoid CB1 receptor | 84.32% | 96.61% |
CHEMBL3476 | O15111 | Inhibitor of nuclear factor kappa B kinase alpha subunit | 84.26% | 95.83% |
CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 83.39% | 99.23% |
CHEMBL1871 | P10275 | Androgen Receptor | 82.72% | 96.43% |
CHEMBL4478 | Q00975 | Voltage-gated N-type calcium channel alpha-1B subunit | 82.62% | 97.14% |
CHEMBL221 | P23219 | Cyclooxygenase-1 | 82.11% | 90.17% |
CHEMBL5255 | O00206 | Toll-like receptor 4 | 81.54% | 92.50% |
CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 81.19% | 85.14% |
CHEMBL1907602 | P06493 | Cyclin-dependent kinase 1/cyclin B1 | 81.01% | 91.24% |
CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 80.70% | 86.33% |
CHEMBL2581 | P07339 | Cathepsin D | 80.46% | 98.95% |
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.
Ixeridium dentatum subsp. dentatum |
Ixeris repens |
Ixeris tamagawaensis |
Nabalus acerifolius |
Picris conyzoides |
Taraxacum erythrospermum |
Taraxacum platycarpum |
PubChem | 14355774 |
LOTUS | LTS0061690 |
wikiData | Q105001051 |