6b-Hydroxy-8a-methoxy-7(11)-eremophilen-12,8-olide
Internal ID | d9511f7b-5f19-4c9c-8d12-4a73ec456247 |
Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Terpene lactones |
IUPAC Name | 4-hydroxy-9a-methoxy-3,4a,5-trimethyl-5,6,7,8,8a,9-hexahydro-4H-benzo[f][1]benzofuran-2-one |
SMILES (Canonical) | CC1CCCC2C1(C(C3=C(C(=O)OC3(C2)OC)C)O)C |
SMILES (Isomeric) | CC1CCCC2C1(C(C3=C(C(=O)OC3(C2)OC)C)O)C |
InChI | InChI=1S/C16H24O4/c1-9-6-5-7-11-8-16(19-4)12(10(2)14(18)20-16)13(17)15(9,11)3/h9,11,13,17H,5-8H2,1-4H3 |
InChI Key | UTOHVMLCPJSXEB-UHFFFAOYSA-N |
Popularity | 4 references in papers |
Molecular Formula | C16H24O4 |
Molecular Weight | 280.36 g/mol |
Exact Mass | 280.16745924 g/mol |
Topological Polar Surface Area (TPSA) | 55.80 Ų |
XlogP | 2.30 |
CHEBI:174673 |
6-Hydroxy-8-methoxy-7(11)-eremophilen-12,8-olide |
4-hydroxy-9a-methoxy-3,4a,5-trimethyl-5,6,7,8,8a,9-hexahydro-4H-benzo[][1]benzouran-2-one |
![2D Structure of 6b-Hydroxy-8a-methoxy-7(11)-eremophilen-12,8-olide 2D Structure of 6b-Hydroxy-8a-methoxy-7(11)-eremophilen-12,8-olide](https://plantaedb.com/storage/docs/compounds/2023/11/6b-hydroxy-8a-methoxy-711-eremophilen-128-olide.jpg)
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 |
---|---|---|---|---|
CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 96.46% | 95.56% |
CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 93.68% | 91.11% |
CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 89.91% | 99.23% |
CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 87.00% | 86.33% |
CHEMBL1907600 | Q00535 | Cyclin-dependent kinase 5/CDK5 activator 1 | 86.93% | 93.03% |
CHEMBL3137262 | O60341 | LSD1/CoREST complex | 86.28% | 97.09% |
CHEMBL4478 | Q00975 | Voltage-gated N-type calcium channel alpha-1B subunit | 85.56% | 97.14% |
CHEMBL2007 | P16234 | Platelet-derived growth factor receptor alpha | 85.05% | 91.07% |
CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 83.39% | 95.89% |
CHEMBL2581 | P07339 | Cathepsin D | 83.18% | 98.95% |
CHEMBL1871 | P10275 | Androgen Receptor | 82.69% | 96.43% |
CHEMBL1994 | P08235 | Mineralocorticoid receptor | 80.58% | 100.00% |
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.
Ligularia fischeri |
Ligularia virgaurea |
Petasites japonicus |
PubChem | 131752123 |
LOTUS | LTS0087704 |
wikiData | Q105278925 |