Augustifolin
Internal ID | 1c613754-8adf-43b5-b412-33f9af360b63 |
Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Terpene lactones > Diterpene lactones |
IUPAC Name | 7'-hydroxy-3-methoxy-7a-methyl-10'-methylidenespiro[1,3,3a,5,6,7-hexahydro-2-benzofuran-4,5'-3-oxatricyclo[7.2.1.01,6]dodecane]-2',11'-dione |
SMILES (Canonical) | CC12CCCC3(C1C(OC2)OC)COC(=O)C45C3C(CC(C4)C(=C)C5=O)O |
SMILES (Isomeric) | CC12CCCC3(C1C(OC2)OC)COC(=O)C45C3C(CC(C4)C(=C)C5=O)O |
InChI | InChI=1S/C21H28O6/c1-11-12-7-13(22)14-20(10-27-18(24)21(14,8-12)16(11)23)6-4-5-19(2)9-26-17(25-3)15(19)20/h12-15,17,22H,1,4-10H2,2-3H3 |
InChI Key | OCIBRRBOOBNKJY-UHFFFAOYSA-N |
Popularity | 0 references in papers |
Molecular Formula | C21H28O6 |
Molecular Weight | 376.40 g/mol |
Exact Mass | 376.18858861 g/mol |
Topological Polar Surface Area (TPSA) | 82.10 Ų |
XlogP | 1.90 |
6-epi-Augustifolin |
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 | 96.11% | 91.11% |
CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 95.35% | 94.45% |
CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 95.08% | 96.09% |
CHEMBL3137262 | O60341 | LSD1/CoREST complex | 94.28% | 97.09% |
CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 92.21% | 95.56% |
CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 90.85% | 85.14% |
CHEMBL241 | Q14432 | Phosphodiesterase 3A | 89.44% | 92.94% |
CHEMBL2007 | P16234 | Platelet-derived growth factor receptor alpha | 89.25% | 91.07% |
CHEMBL4478 | Q00975 | Voltage-gated N-type calcium channel alpha-1B subunit | 88.58% | 97.14% |
CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 88.22% | 97.25% |
CHEMBL4026 | P40763 | Signal transducer and activator of transcription 3 | 87.79% | 82.69% |
CHEMBL259 | P32245 | Melanocortin receptor 4 | 86.69% | 95.38% |
CHEMBL2581 | P07339 | Cathepsin D | 86.56% | 98.95% |
CHEMBL1871 | P10275 | Androgen Receptor | 85.05% | 96.43% |
CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 84.43% | 99.23% |
CHEMBL1994 | P08235 | Mineralocorticoid receptor | 84.43% | 100.00% |
CHEMBL1937 | Q92769 | Histone deacetylase 2 | 83.76% | 94.75% |
CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 83.72% | 94.00% |
CHEMBL1902 | P62942 | FK506-binding protein 1A | 83.22% | 97.05% |
CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 82.66% | 86.33% |
CHEMBL3475 | P05121 | Plasminogen activator inhibitor-1 | 81.48% | 83.00% |
CHEMBL4685 | P14902 | Indoleamine 2,3-dioxygenase | 81.32% | 96.38% |
CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 81.11% | 95.89% |
CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 80.78% | 92.62% |
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.
Isodon rubescens |
PubChem | 73802105 |
LOTUS | LTS0193407 |
wikiData | Q105189386 |