1beta-Hydroxyalantolactone
Internal ID | 177fc98a-0de0-4ba7-8746-489a1edc4a67 |
Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Terpene lactones > Sesquiterpene lactones > Eudesmanolides, secoeudesmanolides, and derivatives |
IUPAC Name | (3aR,5S,8R,8aR,9aR)-8-hydroxy-5,8a-dimethyl-3-methylidene-5,6,7,8,9,9a-hexahydro-3aH-benzo[f][1]benzofuran-2-one |
SMILES (Canonical) | CC1CCC(C2(C1=CC3C(C2)OC(=O)C3=C)C)O |
SMILES (Isomeric) | C[C@H]1CC[C@H]([C@]2(C1=C[C@H]3[C@@H](C2)OC(=O)C3=C)C)O |
InChI | InChI=1S/C15H20O3/c1-8-4-5-13(16)15(3)7-12-10(6-11(8)15)9(2)14(17)18-12/h6,8,10,12-13,16H,2,4-5,7H2,1,3H3/t8-,10+,12+,13+,15+/m0/s1 |
InChI Key | FRNIMDDQCZHAFA-SCFTVSGOSA-N |
Popularity | 7 references in papers |
Molecular Formula | C15H20O3 |
Molecular Weight | 248.32 g/mol |
Exact Mass | 248.14124450 g/mol |
Topological Polar Surface Area (TPSA) | 46.50 Ų |
XlogP | 2.20 |
68776-47-6 |
IJ-5 |
CHEMBL4082171 |
CHEBI:192839 |
DTXSID901313851 |
BDBM50249753 |
AKOS040760884 |
MS-23518 |
HY-124670 |
CS-0087281 |
There are more than 10 synonyms. If you wish to see them all click here. |
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 | 91.41% | 91.11% |
CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 91.19% | 95.56% |
CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 86.94% | 96.09% |
CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 85.99% | 99.23% |
CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 84.55% | 94.45% |
CHEMBL241 | Q14432 | Phosphodiesterase 3A | 84.45% | 92.94% |
CHEMBL1994 | P08235 | Mineralocorticoid receptor | 84.20% | 100.00% |
CHEMBL3137262 | O60341 | LSD1/CoREST complex | 83.58% | 97.09% |
CHEMBL2581 | P07339 | Cathepsin D | 83.37% | 98.95% |
CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 82.27% | 85.14% |
CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 80.95% | 89.00% |
CHEMBL2996 | Q05655 | Protein kinase C delta | 80.75% | 97.79% |
CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 80.28% | 86.33% |
CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 80.07% | 95.89% |
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.
Inula helenium |
Inula japonica |
PubChem | 71573444 |
NPASS | NPC135942 |
LOTUS | LTS0099008 |
wikiData | Q105000306 |