Achillicin
Internal ID | a721a48f-c7c9-4d65-b981-72f6d4252a90 |
Taxonomy | Organoheterocyclic compounds > Lactones > Gamma butyrolactones |
IUPAC Name | (6-hydroxy-3,6,9-trimethyl-2-oxo-3,3a,4,5,8,9b-hexahydroazuleno[4,5-b]furan-4-yl) acetate |
SMILES (Canonical) | CC1C2C(CC(C3=CCC(=C3C2OC1=O)C)(C)O)OC(=O)C |
SMILES (Isomeric) | CC1C2C(CC(C3=CCC(=C3C2OC1=O)C)(C)O)OC(=O)C |
InChI | InChI=1S/C17H22O5/c1-8-5-6-11-13(8)15-14(9(2)16(19)22-15)12(21-10(3)18)7-17(11,4)20/h6,9,12,14-15,20H,5,7H2,1-4H3 |
InChI Key | ZPTLTKQKVWFFNY-UHFFFAOYSA-N |
Popularity | 0 references in papers |
Molecular Formula | C17H22O5 |
Molecular Weight | 306.40 g/mol |
Exact Mass | 306.14672380 g/mol |
Topological Polar Surface Area (TPSA) | 72.80 Ų |
XlogP | 0.60 |
8-Acetoxyartabsin |
2,2-Dichloro-N-methyl-Acetamide |
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 | 95.76% | 91.11% |
CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 95.29% | 85.14% |
CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 93.27% | 94.45% |
CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 88.81% | 96.09% |
CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 88.17% | 86.33% |
CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 86.95% | 95.56% |
CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 86.09% | 99.23% |
CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 81.47% | 97.25% |
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.
Achillea collina |
Achillea millefolium |
PubChem | 131752003 |
LOTUS | LTS0099478 |
wikiData | Q104393019 |