(3,4,11-Triacetyloxy-2,8-dihydroxy-1,5,15-trimethyl-9-methylidene-14-oxo-16-oxatetracyclo[10.5.0.02,15.05,10]heptadecan-6-yl)methyl acetate
Internal ID | 69a285f7-2610-4209-9690-07aac7b768ea |
Taxonomy | Organic acids and derivatives > Carboxylic acids and derivatives > Tetracarboxylic acids and derivatives |
IUPAC Name | (3,4,11-triacetyloxy-2,8-dihydroxy-1,5,15-trimethyl-9-methylidene-14-oxo-16-oxatetracyclo[10.5.0.02,15.05,10]heptadecan-6-yl)methyl acetate |
SMILES (Canonical) | CC(=O)OCC1CC(C(=C)C2C1(C(C(C3(C4(COC3(C(=O)CC4C2OC(=O)C)C)C)O)OC(=O)C)OC(=O)C)C)O |
SMILES (Isomeric) | CC(=O)OCC1CC(C(=C)C2C1(C(C(C3(C4(COC3(C(=O)CC4C2OC(=O)C)C)C)O)OC(=O)C)OC(=O)C)C)O |
InChI | InChI=1S/C29H40O12/c1-13-20(34)9-18(11-37-14(2)30)27(7)22(13)23(39-15(3)31)19-10-21(35)28(8)29(36,26(19,6)12-38-28)25(41-17(5)33)24(27)40-16(4)32/h18-20,22-25,34,36H,1,9-12H2,2-8H3 |
InChI Key | VGSYKDLPCMQJET-UHFFFAOYSA-N |
Popularity | 0 references in papers |
Molecular Formula | C29H40O12 |
Molecular Weight | 580.60 g/mol |
Exact Mass | 580.25197671 g/mol |
Topological Polar Surface Area (TPSA) | 172.00 Ų |
XlogP | 0.00 |
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 |
---|---|---|---|---|
CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 96.01% | 96.09% |
CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 95.47% | 85.14% |
CHEMBL2581 | P07339 | Cathepsin D | 95.40% | 98.95% |
CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 94.11% | 91.11% |
CHEMBL2996 | Q05655 | Protein kinase C delta | 93.41% | 97.79% |
CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 91.03% | 94.45% |
CHEMBL4026 | P40763 | Signal transducer and activator of transcription 3 | 90.78% | 82.69% |
CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 90.22% | 86.33% |
CHEMBL1951 | P21397 | Monoamine oxidase A | 90.15% | 91.49% |
CHEMBL1293267 | Q9HC97 | G-protein coupled receptor 35 | 90.00% | 89.34% |
CHEMBL221 | P23219 | Cyclooxygenase-1 | 89.44% | 90.17% |
CHEMBL340 | P08684 | Cytochrome P450 3A4 | 88.57% | 91.19% |
CHEMBL3091268 | Q92753 | Nuclear receptor ROR-beta | 88.03% | 95.50% |
CHEMBL3137262 | O60341 | LSD1/CoREST complex | 87.20% | 97.09% |
CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 86.63% | 97.25% |
CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 86.57% | 99.23% |
CHEMBL1994 | P08235 | Mineralocorticoid receptor | 85.15% | 100.00% |
CHEMBL4793 | Q86TI2 | Dipeptidyl peptidase IX | 84.53% | 96.95% |
CHEMBL1937 | Q92769 | Histone deacetylase 2 | 84.15% | 94.75% |
CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 84.13% | 94.00% |
CHEMBL2111367 | P27986 | PI3-kinase p110-alpha/p85-alpha | 81.49% | 94.33% |
CHEMBL3351 | Q13085 | Acetyl-CoA carboxylase 1 | 81.31% | 93.04% |
CHEMBL3864 | Q06124 | Protein-tyrosine phosphatase 2C | 81.04% | 94.42% |
CHEMBL3976 | Q9UHL4 | Dipeptidyl peptidase II | 80.85% | 92.29% |
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.
Taxus baccata |
PubChem | 162903905 |
LOTUS | LTS0153511 |
wikiData | Q105286033 |