[(1R,3R,4R,5R,7R,10S,11R,12R,14S)-11,12-diacetyloxy-1,7-dihydroxy-10,14,17-trimethyl-6-methylidene-16-oxatetracyclo[11.3.1.03,14.05,10]heptadec-13(17)-en-4-yl] acetate
Internal ID | eaeb3aed-3d5f-4a10-82e1-c529786ea2e6 |
Taxonomy | Organic acids and derivatives > Carboxylic acids and derivatives > Tricarboxylic acids and derivatives |
IUPAC Name | [(1R,3R,4R,5R,7R,10S,11R,12R,14S)-11,12-diacetyloxy-1,7-dihydroxy-10,14,17-trimethyl-6-methylidene-16-oxatetracyclo[11.3.1.03,14.05,10]heptadec-13(17)-en-4-yl] acetate |
SMILES (Canonical) | CC1=C2C(C(C3(CCC(C(=C)C3C(C4C2(COC1(C4)O)C)OC(=O)C)O)C)OC(=O)C)OC(=O)C |
SMILES (Isomeric) | CC1=C2[C@H]([C@@H]([C@]3(CC[C@H](C(=C)[C@H]3[C@@H]([C@H]4[C@@]2(CO[C@@]1(C4)O)C)OC(=O)C)O)C)OC(=O)C)OC(=O)C |
InChI | InChI=1S/C26H36O9/c1-12-18(30)8-9-24(6)19(12)21(33-14(3)27)17-10-26(31)13(2)20(25(17,7)11-32-26)22(34-15(4)28)23(24)35-16(5)29/h17-19,21-23,30-31H,1,8-11H2,2-7H3/t17-,18+,19-,21+,22+,23-,24-,25-,26+/m0/s1 |
InChI Key | OFABTNFZWMLARJ-QWHACPTKSA-N |
Popularity | 0 references in papers |
Molecular Formula | C26H36O9 |
Molecular Weight | 492.60 g/mol |
Exact Mass | 492.23593272 g/mol |
Topological Polar Surface Area (TPSA) | 129.00 Ų |
XlogP | 0.50 |
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 |
---|---|---|---|---|
CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 94.81% | 94.45% |
CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 94.65% | 96.09% |
CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 92.44% | 97.25% |
CHEMBL1994 | P08235 | Mineralocorticoid receptor | 91.19% | 100.00% |
CHEMBL340 | P08684 | Cytochrome P450 3A4 | 89.57% | 91.19% |
CHEMBL1293277 | O15118 | Niemann-Pick C1 protein | 89.30% | 81.11% |
CHEMBL3091268 | Q92753 | Nuclear receptor ROR-beta | 88.27% | 95.50% |
CHEMBL4005 | P42336 | PI3-kinase p110-alpha subunit | 87.44% | 97.47% |
CHEMBL221 | P23219 | Cyclooxygenase-1 | 87.36% | 90.17% |
CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 87.21% | 91.11% |
CHEMBL1951 | P21397 | Monoamine oxidase A | 86.37% | 91.49% |
CHEMBL2581 | P07339 | Cathepsin D | 86.08% | 98.95% |
CHEMBL2111367 | P27986 | PI3-kinase p110-alpha/p85-alpha | 84.39% | 94.33% |
CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 83.77% | 86.33% |
CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 82.30% | 99.23% |
CHEMBL5255 | O00206 | Toll-like receptor 4 | 82.13% | 92.50% |
CHEMBL1871 | P10275 | Androgen Receptor | 81.45% | 96.43% |
CHEMBL3137262 | O60341 | LSD1/CoREST complex | 81.16% | 97.09% |
CHEMBL5028 | O14672 | ADAM10 | 81.04% | 97.50% |
CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 80.79% | 95.89% |
CHEMBL1293316 | Q9HBX9 | Relaxin receptor 1 | 80.54% | 82.50% |
CHEMBL4681 | P42330 | Aldo-keto-reductase family 1 member C3 | 80.27% | 89.05% |
CHEMBL4187 | Q99250 | Sodium channel protein type II alpha subunit | 80.18% | 95.50% |
CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 80.13% | 94.00% |
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 cuspidata |
PubChem | 162875521 |
LOTUS | LTS0115571 |
wikiData | Q105190748 |