(3aS,5R,5aS,6S,8R,8aS,9R,9aS)-6,8,9-trihydroxy-5,8a-dimethyl-1-methylidene-4,5,5a,6,7,8,9,9a-octahydro-3aH-azuleno[6,5-b]furan-2-one
Internal ID | 36f66f3a-c30a-4c01-a913-4319f93674cb |
Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Terpene lactones > Sesquiterpene lactones |
IUPAC Name | (3aS,5R,5aS,6S,8R,8aS,9R,9aS)-6,8,9-trihydroxy-5,8a-dimethyl-1-methylidene-4,5,5a,6,7,8,9,9a-octahydro-3aH-azuleno[6,5-b]furan-2-one |
SMILES (Canonical) | CC1CC2C(C(C3(C1C(CC3O)O)C)O)C(=C)C(=O)O2 |
SMILES (Isomeric) | C[C@@H]1C[C@H]2[C@H]([C@H]([C@]3([C@H]1[C@H](C[C@H]3O)O)C)O)C(=C)C(=O)O2 |
InChI | InChI=1S/C15H22O5/c1-6-4-9-11(7(2)14(19)20-9)13(18)15(3)10(17)5-8(16)12(6)15/h6,8-13,16-18H,2,4-5H2,1,3H3/t6-,8+,9+,10-,11-,12-,13-,15-/m1/s1 |
InChI Key | CHHJAEIMNOFHLW-KODBGGLSSA-N |
Popularity | 0 references in papers |
Molecular Formula | C15H22O5 |
Molecular Weight | 282.33 g/mol |
Exact Mass | 282.14672380 g/mol |
Topological Polar Surface Area (TPSA) | 87.00 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 |
---|---|---|---|---|
CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 96.13% | 85.14% |
CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 94.29% | 91.11% |
CHEMBL221 | P23219 | Cyclooxygenase-1 | 92.70% | 90.17% |
CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 88.53% | 95.56% |
CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 87.33% | 86.33% |
CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 87.28% | 99.23% |
CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 86.01% | 97.25% |
CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 83.99% | 94.45% |
CHEMBL3137262 | O60341 | LSD1/CoREST complex | 83.45% | 97.09% |
CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 83.09% | 96.09% |
CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 83.08% | 89.00% |
CHEMBL1994 | P08235 | Mineralocorticoid receptor | 81.69% | 100.00% |
CHEMBL241 | Q14432 | Phosphodiesterase 3A | 81.46% | 92.94% |
CHEMBL2996 | Q05655 | Protein kinase C delta | 81.28% | 97.79% |
CHEMBL299 | P17252 | Protein kinase C alpha | 80.71% | 98.03% |
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.
Gaillardia coahuilensis |
Gaillardia pulchella |
PubChem | 11876164 |
LOTUS | LTS0274301 |
wikiData | Q104958785 |