Tzfnsitzszgmkw-qkqmvzjrsa-
Internal ID | bee9dad6-6094-4d12-a973-ffbc1fe3164e |
Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Diterpenoids > Taxanes and derivatives |
IUPAC Name | [(1R,2S,3S,5S,8R,9R,10S,11S,13R,16S)-2,8,9,16-tetraacetyloxy-5-hydroxy-3-(2-hydroxypropan-2-yl)-6,10-dimethyl-14-oxatetracyclo[8.6.0.03,7.013,16]hexadec-6-en-11-yl] acetate |
SMILES (Canonical) | CC1=C2C(C(C3(C(CC4C(C3C(C2(CC1O)C(C)(C)O)OC(=O)C)(CO4)OC(=O)C)OC(=O)C)C)OC(=O)C)OC(=O)C |
SMILES (Isomeric) | CC1=C2[C@H]([C@@H]([C@@]3([C@H](C[C@@H]4[C@]([C@H]3[C@@H]([C@@]2(C[C@@H]1O)C(C)(C)O)OC(=O)C)(CO4)OC(=O)C)OC(=O)C)C)OC(=O)C)OC(=O)C |
InChI | InChI=1S/C30H42O13/c1-13-19(36)11-29(27(7,8)37)22(13)23(40-15(3)32)25(41-16(4)33)28(9)20(39-14(2)31)10-21-30(12-38-21,43-18(6)35)24(28)26(29)42-17(5)34/h19-21,23-26,36-37H,10-12H2,1-9H3/t19-,20-,21+,23+,24-,25-,26-,28+,29-,30-/m0/s1 |
InChI Key | TZFNSITZSZGMKW-QKQMVZJRSA-N |
Popularity | 0 references in papers |
Molecular Formula | C30H42O13 |
Molecular Weight | 610.60 g/mol |
Exact Mass | 610.26254139 g/mol |
Topological Polar Surface Area (TPSA) | 181.00 Ų |
XlogP | -0.30 |
TZFNSITZSZGMKW-QKQMVZJRSA- |
InChI=1/C30H42O13/c1-13-19(36)11-29(27(7,8)37)22(13)23(40-15(3)32)25(41-16(4)33)28(9)20(39-14(2)31)10-21-30(12-38-21,43-18(6)35)24(28)26(29)42-17(5)34/h19-21,23-26,36-37H,10-12H2,1-9H3/t19-,20-,21+,23+,24-,25-,26-,28+,29-,30-/m0/s1 |
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 | 97.04% | 96.09% |
CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 95.99% | 91.11% |
CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 93.76% | 94.45% |
CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 92.95% | 97.25% |
CHEMBL2581 | P07339 | Cathepsin D | 89.32% | 98.95% |
CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 88.34% | 86.33% |
CHEMBL3137262 | O60341 | LSD1/CoREST complex | 87.41% | 97.09% |
CHEMBL4478 | Q00975 | Voltage-gated N-type calcium channel alpha-1B subunit | 85.96% | 97.14% |
CHEMBL340 | P08684 | Cytochrome P450 3A4 | 85.77% | 91.19% |
CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 85.24% | 89.00% |
CHEMBL1293277 | O15118 | Niemann-Pick C1 protein | 84.70% | 81.11% |
CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 83.81% | 95.56% |
CHEMBL5028 | O14672 | ADAM10 | 83.57% | 97.50% |
CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 83.25% | 94.00% |
CHEMBL241 | Q14432 | Phosphodiesterase 3A | 83.15% | 92.94% |
CHEMBL3091268 | Q92753 | Nuclear receptor ROR-beta | 82.53% | 95.50% |
CHEMBL2111367 | P27986 | PI3-kinase p110-alpha/p85-alpha | 81.54% | 94.33% |
CHEMBL3922 | P50579 | Methionine aminopeptidase 2 | 81.45% | 97.28% |
CHEMBL4303 | P08238 | Heat shock protein HSP 90-beta | 81.30% | 96.77% |
CHEMBL4793 | Q86TI2 | Dipeptidyl peptidase IX | 80.04% | 96.95% |
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 |
Taxus cuspidata |
PubChem | 15349272 |
LOTUS | LTS0051764 |
wikiData | Q105268115 |