7-Xylosyl-10-deacetyltaxol B
| Internal ID | 2b1dca4d-354d-4289-b787-197ec2e90de0 |
| Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Diterpenoids > Taxanes and derivatives |
| IUPAC Name | [(1S,2S,3R,4S,7R,9S,10S,12R,15S)-4-acetyloxy-1,12-dihydroxy-15-[(2R,3S)-2-hydroxy-3-[[(E)-2-methylbut-2-enoyl]amino]-3-phenylpropanoyl]oxy-10,14,17,17-tetramethyl-11-oxo-9-[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxy-6-oxatetracyclo[11.3.1.03,10.04,7]heptadec-13-en-2-yl] benzoate |
| SMILES (Canonical) | CC=C(C)C(=O)NC(C1=CC=CC=C1)C(C(=O)OC2CC3(C(C4C(C(CC5C4(CO5)OC(=O)C)OC6C(C(C(CO6)O)O)O)(C(=O)C(C(=C2C)C3(C)C)O)C)OC(=O)C7=CC=CC=C7)O)O |
| SMILES (Isomeric) | C/C=C(\C)/C(=O)N[C@@H](C1=CC=CC=C1)[C@H](C(=O)O[C@H]2C[C@]3([C@H]([C@H]4[C@@]([C@H](C[C@@H]5[C@]4(CO5)OC(=O)C)O[C@H]6[C@@H]([C@H]([C@@H](CO6)O)O)O)(C(=O)[C@@H](C(=C2C)C3(C)C)O)C)OC(=O)C7=CC=CC=C7)O)O |
| InChI | InChI=1S/C48H59NO17/c1-8-23(2)41(57)49-33(26-15-11-9-12-16-26)36(54)43(59)63-29-20-48(60)40(65-42(58)27-17-13-10-14-18-27)38-46(7,39(56)35(53)32(24(29)3)45(48,5)6)30(19-31-47(38,22-62-31)66-25(4)50)64-44-37(55)34(52)28(51)21-61-44/h8-18,28-31,33-38,40,44,51-55,60H,19-22H2,1-7H3,(H,49,57)/b23-8+/t28-,29+,30+,31-,33+,34+,35-,36-,37-,38+,40+,44+,46-,47+,48-/m1/s1 |
| InChI Key | YAOWLIDDDUBAEI-ZVZSAYPQSA-N |
| Popularity | 1 reference in papers |
| Molecular Formula | C48H59NO17 |
| Molecular Weight | 922.00 g/mol |
| Exact Mass | 921.37829941 g/mol |
| Topological Polar Surface Area (TPSA) | 274.00 Ų |
| XlogP | -0.10 |
| 90332-64-2 |
| [(1S,2S,3R,4S,7R,9S,10S,12R,15S)-4-acetyloxy-1,12-dihydroxy-15-[(2R,3S)-2-hydroxy-3-[[(E)-2-methylbut-2-enoyl]amino]-3-phenylpropanoyl]oxy-10,14,17,17-tetramethyl-11-oxo-9-[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxy-6-oxatetracyclo[11.3.1.03,10.04,7]heptadec-13-en-2-yl] benzoate |
| 10-Deacetyl-7-xylosyltaxol B |
| YAOWLIDDDUBAEI-ZVZSAYPQSA-N |
| 7-xylosyl-10-deacetyl-taxol B |
| CHEMBL3398370 |
| DTXSID601309623 |
| HY-N7776 |
| AKOS040760248 |
| CS-0137310 |
| 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 |
|---|---|---|---|---|
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 99.72% | 90.17% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 99.62% | 85.14% |
| CHEMBL2581 | P07339 | Cathepsin D | 99.05% | 98.95% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 97.94% | 91.11% |
| CHEMBL1293294 | P51151 | Ras-related protein Rab-9A | 96.00% | 87.67% |
| CHEMBL3091268 | Q92753 | Nuclear receptor ROR-beta | 95.67% | 95.50% |
| CHEMBL2535 | P11166 | Glucose transporter | 94.54% | 98.75% |
| CHEMBL1293277 | O15118 | Niemann-Pick C1 protein | 94.36% | 81.11% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 93.78% | 86.33% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 92.98% | 96.09% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 92.57% | 95.56% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 92.29% | 89.00% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 91.56% | 99.23% |
| CHEMBL2035 | P08912 | Muscarinic acetylcholine receptor M5 | 90.74% | 94.62% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 90.41% | 96.00% |
| CHEMBL5028 | O14672 | ADAM10 | 90.40% | 97.50% |
| CHEMBL3475 | P05121 | Plasminogen activator inhibitor-1 | 90.13% | 83.00% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 89.17% | 94.45% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 89.04% | 91.49% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 89.01% | 91.19% |
| CHEMBL3145 | P42338 | PI3-kinase p110-beta subunit | 88.36% | 98.75% |
| CHEMBL4302 | P08183 | P-glycoprotein 1 | 88.31% | 92.98% |
| CHEMBL3130 | O00329 | PI3-kinase p110-delta subunit | 88.22% | 96.47% |
| CHEMBL4478 | Q00975 | Voltage-gated N-type calcium channel alpha-1B subunit | 87.01% | 97.14% |
| CHEMBL2179 | P04062 | Beta-glucocerebrosidase | 85.93% | 85.31% |
| CHEMBL1821 | P08173 | Muscarinic acetylcholine receptor M4 | 85.42% | 94.08% |
| CHEMBL2716 | Q8WUI4 | Histone deacetylase 7 | 84.30% | 89.44% |
| CHEMBL4026 | P40763 | Signal transducer and activator of transcription 3 | 83.69% | 82.69% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 83.54% | 90.00% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 83.48% | 97.09% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 83.05% | 99.17% |
| CHEMBL2335 | P42785 | Lysosomal Pro-X carboxypeptidase | 81.99% | 100.00% |
| CHEMBL5163 | Q9NY46 | Sodium channel protein type III alpha subunit | 81.20% | 96.90% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 80.44% | 94.73% |
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 |
| Taxus cuspidata |
| PubChem | 15222311 |
| LOTUS | LTS0187637 |
| wikiData | Q104392856 |