20-Deacetyltaxuspine X
Internal ID | 6fd3c952-75c4-4307-a029-eb11fb802d77 |
Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Diterpenoids > Taxanes and derivatives |
IUPAC Name | [(1R,2S,3E,5S,7S,8Z,10R,13S)-2,7,9,10,13-pentaacetyloxy-4-(hydroxymethyl)-8,12,15,15-tetramethyl-5-bicyclo[9.3.1]pentadeca-3,8,11-trienyl] (E)-3-phenylprop-2-enoate |
SMILES (Canonical) | CC1=C2C(C(=C(C(CC(C(=CC(C(C2(C)C)CC1OC(=O)C)OC(=O)C)CO)OC(=O)C=CC3=CC=CC=C3)OC(=O)C)C)OC(=O)C)OC(=O)C |
SMILES (Isomeric) | CC1=C2[C@H](/C(=C(/[C@H](C[C@@H](/C(=C/[C@@H]([C@@H](C2(C)C)C[C@@H]1OC(=O)C)OC(=O)C)/CO)OC(=O)/C=C/C3=CC=CC=C3)OC(=O)C)\C)/OC(=O)C)OC(=O)C |
InChI | InChI=1S/C39H48O13/c1-21-31(47-23(3)41)18-30-34(49-25(5)43)17-29(20-40)33(52-35(46)16-15-28-13-11-10-12-14-28)19-32(48-24(4)42)22(2)37(50-26(6)44)38(51-27(7)45)36(21)39(30,8)9/h10-17,30-34,38,40H,18-20H2,1-9H3/b16-15+,29-17+,37-22-/t30-,31-,32-,33-,34-,38+/m0/s1 |
InChI Key | FKDZVYSKSQDUKG-IRKKXACWSA-N |
Popularity | 0 references in papers |
Molecular Formula | C39H48O13 |
Molecular Weight | 724.80 g/mol |
Exact Mass | 724.30949158 g/mol |
Topological Polar Surface Area (TPSA) | 178.00 Ų |
XlogP | 2.60 |
20-Deacetyltaxuspine X |
[(1R,2S,3E,5S,7S,8Z,10R,13S)-2,7,9,10,13-pentaacetyloxy-4-(hydroxymethyl)-8,12,15,15-tetramethyl-5-bicyclo[9.3.1]pentadeca-3,8,11-trienyl] (E)-3-phenylprop-2-enoate |
AKOS040761019 |

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 | 98.00% | 96.09% |
CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 97.23% | 91.11% |
CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 96.85% | 86.33% |
CHEMBL2035 | P08912 | Muscarinic acetylcholine receptor M5 | 95.88% | 94.62% |
CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 92.82% | 95.56% |
CHEMBL3091268 | Q92753 | Nuclear receptor ROR-beta | 91.82% | 95.50% |
CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 90.26% | 96.00% |
CHEMBL2581 | P07339 | Cathepsin D | 88.38% | 98.95% |
CHEMBL2288 | Q13526 | Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1 | 87.05% | 91.71% |
CHEMBL1821 | P08173 | Muscarinic acetylcholine receptor M4 | 86.75% | 94.08% |
CHEMBL3807 | P17706 | T-cell protein-tyrosine phosphatase | 85.83% | 93.00% |
CHEMBL5028 | O14672 | ADAM10 | 85.75% | 97.50% |
CHEMBL2996 | Q05655 | Protein kinase C delta | 82.87% | 97.79% |
CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 82.51% | 89.00% |
CHEMBL4793 | Q86TI2 | Dipeptidyl peptidase IX | 82.36% | 96.95% |
CHEMBL221 | P23219 | Cyclooxygenase-1 | 82.09% | 90.17% |
CHEMBL340 | P08684 | Cytochrome P450 3A4 | 80.23% | 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.
To see more specific details click the taxa you are interested in.
Taxus canadensis |
PubChem | 10771181 |
LOTUS | LTS0086749 |
wikiData | Q104996539 |