(8,9-diacetyloxy-4-hydroxy-5,8a-dimethyl-1-methylidene-2-oxo-4,5,5a,6,7,8,9,9a-octahydro-3aH-azuleno[6,5-b]furan-6-yl) 3-methylbutanoate
Internal ID | d3ecac09-1576-4d32-9bda-12f359b6a9b5 |
Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Terpene lactones > Sesquiterpene lactones |
IUPAC Name | (8,9-diacetyloxy-4-hydroxy-5,8a-dimethyl-1-methylidene-2-oxo-4,5,5a,6,7,8,9,9a-octahydro-3aH-azuleno[6,5-b]furan-6-yl) 3-methylbutanoate |
SMILES (Canonical) | CC1C2C(CC(C2(C(C3C(C1O)OC(=O)C3=C)OC(=O)C)C)OC(=O)C)OC(=O)CC(C)C |
SMILES (Isomeric) | CC1C2C(CC(C2(C(C3C(C1O)OC(=O)C3=C)OC(=O)C)C)OC(=O)C)OC(=O)CC(C)C |
InChI | InChI=1S/C24H34O9/c1-10(2)8-17(27)32-15-9-16(30-13(5)25)24(7)19(15)12(4)20(28)21-18(11(3)23(29)33-21)22(24)31-14(6)26/h10,12,15-16,18-22,28H,3,8-9H2,1-2,4-7H3 |
InChI Key | OHXAYESXJHEHGM-UHFFFAOYSA-N |
Popularity | 0 references in papers |
Molecular Formula | C24H34O9 |
Molecular Weight | 466.50 g/mol |
Exact Mass | 466.22028266 g/mol |
Topological Polar Surface Area (TPSA) | 125.00 Ų |
XlogP | 2.70 |
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 |
---|---|---|---|---|
CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 97.60% | 91.11% |
CHEMBL2996 | Q05655 | Protein kinase C delta | 96.37% | 97.79% |
CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 95.86% | 85.14% |
CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 95.77% | 96.09% |
CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 95.67% | 94.45% |
CHEMBL221 | P23219 | Cyclooxygenase-1 | 94.93% | 90.17% |
CHEMBL2581 | P07339 | Cathepsin D | 89.85% | 98.95% |
CHEMBL3130 | O00329 | PI3-kinase p110-delta subunit | 89.20% | 96.47% |
CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 89.08% | 86.33% |
CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 88.62% | 97.25% |
CHEMBL2007 | P16234 | Platelet-derived growth factor receptor alpha | 86.55% | 91.07% |
CHEMBL2413 | P32246 | C-C chemokine receptor type 1 | 85.62% | 89.50% |
CHEMBL3091268 | Q92753 | Nuclear receptor ROR-beta | 83.85% | 95.50% |
CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 83.27% | 95.56% |
CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 83.13% | 99.23% |
CHEMBL299 | P17252 | Protein kinase C alpha | 83.13% | 98.03% |
CHEMBL3137262 | O60341 | LSD1/CoREST complex | 82.35% | 97.09% |
CHEMBL340 | P08684 | Cytochrome P450 3A4 | 81.72% | 91.19% |
CHEMBL4478 | Q00975 | Voltage-gated N-type calcium channel alpha-1B subunit | 81.58% | 97.14% |
CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 81.54% | 89.00% |
CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 80.81% | 95.89% |
CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 80.48% | 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.
Gaillardia pulchella |
PubChem | 162872004 |
LOTUS | LTS0253506 |
wikiData | Q105192352 |