Glaucolide B
Internal ID | 83646afc-cf70-4fc4-a283-089f5a82284a |
Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Terpene lactones |
IUPAC Name | [(1S,2R,4R,8R,10S)-8,10-diacetyloxy-4,8-dimethyl-7,13-dioxo-3,14-dioxatricyclo[9.3.0.02,4]tetradec-11-en-12-yl]methyl acetate |
SMILES (Canonical) | CC(=O)OCC1=C2C(CC(C(=O)CCC3(C(C2OC1=O)O3)C)(C)OC(=O)C)OC(=O)C |
SMILES (Isomeric) | CC(=O)OCC1=C2[C@H](C[C@@](C(=O)CC[C@@]3([C@@H]([C@H]2OC1=O)O3)C)(C)OC(=O)C)OC(=O)C |
InChI | InChI=1S/C21H26O10/c1-10(22)27-9-13-16-14(28-11(2)23)8-21(5,30-12(3)24)15(25)6-7-20(4)18(31-20)17(16)29-19(13)26/h14,17-18H,6-9H2,1-5H3/t14-,17-,18+,20+,21+/m0/s1 |
InChI Key | JNLNEIIZZQABDP-ZBWGKUOUSA-N |
Popularity | 7 references in papers |
Molecular Formula | C21H26O10 |
Molecular Weight | 438.40 g/mol |
Exact Mass | 438.15259702 g/mol |
Topological Polar Surface Area (TPSA) | 135.00 Ų |
XlogP | -0.50 |
CHEMBL4278902 |
C09465 |
CHEBI:5375 |
DTXSID50911894 |
BDBM50466096 |
Q27106740 |
8-[(Acetyloxy)methyl]-1a,5-dimethyl-4,9-dioxo-1a,2,3,4,5,6,7,9,10a,10b-decahydrooxireno[9,10]cyclodeca[1,2-b]furan-5,7-diyl diacetate |
![2D Structure of Glaucolide B 2D Structure of Glaucolide B](https://plantaedb.com/storage/docs/compounds/2023/11/glaucolide-b.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 |
---|---|---|---|---|
CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 96.79% | 96.09% |
CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 96.28% | 97.25% |
CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 96.00% | 85.14% |
CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 95.94% | 91.11% |
CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 90.06% | 86.33% |
CHEMBL299 | P17252 | Protein kinase C alpha | 89.02% | 98.03% |
CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 87.92% | 99.23% |
CHEMBL3137262 | O60341 | LSD1/CoREST complex | 85.43% | 97.09% |
CHEMBL2581 | P07339 | Cathepsin D | 85.08% | 98.95% |
CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 84.77% | 94.00% |
CHEMBL2996 | Q05655 | Protein kinase C delta | 84.36% | 97.79% |
CHEMBL4026 | P40763 | Signal transducer and activator of transcription 3 | 83.72% | 82.69% |
CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 82.31% | 92.62% |
CHEMBL340 | P08684 | Cytochrome P450 3A4 | 81.73% | 91.19% |
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.
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PubChem | 442250 |
LOTUS | LTS0228373 |
wikiData | Q27106740 |