7-Xylosyltaxol C
AlkaPlorer ID: AK007833
Synonym: 'MLS001097701', 'SMR000578104', '10-Deacetyl-7-xylosyltaxol C', '(+)-7-Xylosyltaxol C'
IUPAC Name: [(1S,2S,4S,7R,9S,10S,12R,15S)-4-acetyloxy-15-[(2R,3S)-3-(hexanoylamino)-2-hydroxy-3-phenylpropanoyl]oxy-1,12-dihydroxy-10,14,17,17-tetramethyl-11-oxo-9-(3,4,5-trihydroxyoxan-2-yl)oxy-6-oxatetracyclo[11.3.1.03,10.04,7]heptadec-13-en-2-yl] benzoate
Structure
SMILES: CCCCCC(O)=N[C@@H](C1=CC=CC=C1)[C@@H](O)C(=O)O[C@H]1C[C@@]2(O)[C@@H](OC(=O)C3=CC=CC=C3)C3[C@](C)(C(=O)[C@H](O)C(=C1C)C2(C)C)[C@@H](OC1OCC(O)C(O)C1O)C[C@H]1OC[C@@]31OC(C)=O
InChI: InChI=1S/C49H63NO17/c1-7-8-11-20-33(53)50-35(27-16-12-9-13-17-27)38(56)44(60)64-30-22-49(61)42(66-43(59)28-18-14-10-15-19-28)40-47(6,41(58)37(55)34(25(30)2)46(49,4)5)31(21-32-48(40,24-63-32)67-26(3)51)65-45-39(57)36(54)29(52)23-62-45/h9-10,12-19,29-32,35-40,42,45,52,54-57,61H,7-8,11,20-24H2,1-6H3,(H,50,53)/t29?,30-,31-,32+,35-,36?,37+,38+,39?,40?,42-,45?,47+,48-,49+/m0/s1
InChIKey: XGWGQEYABFGJID-VLHYZFGPSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Taxus baccata | Taxus | Taxaceae | Cupressales | Pinopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 938.0330000000002
TPSA？: 277.62999999999994
MolLogP？: 2.735000000000001
Number of H-Donors: 7
Number of H-Acceptors: 17
RingCount: 7
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Equus caballus | Ferritin light chain | Potency | 28183.8 | nM | None |
| Escherichia coli K-12 | Beta-lactamase AmpC | Potency | 63095.7 | nM | None |
| Homo sapiens | Ataxin-2 | Potency | 7519.3 | nM | None |
| Homo sapiens | DNA dC->dU-editing enzyme APOBEC-3G | Potency | 1122.0 | nM | None |
| Homo sapiens | Geminin | Potency | 461.1 | nM | None |
| Homo sapiens | Geminin | Potency | 3662.6 | nM | None |
| Homo sapiens | Glucagon-like peptide 1 receptor | Potency | 3548.1 | nM | None |
| Homo sapiens | Glycoprotein hormones alpha chain | Potency | 2818.4 | nM | None |
| Homo sapiens | Guanine nucleotide-binding protein G(s), subunit alpha | Potency | 1778.3 | nM | None |
| Homo sapiens | Histone-lysine N-methyltransferase MLL | Potency | 3548.1 | nM | None |
| Homo sapiens | Isocitrate dehydrogenase [NADP] cytoplasmic | Potency | 2592.9 | nM | None |
| Homo sapiens | Lethal(3)malignant brain tumor-like protein 1 | Potency | 44668.4 | nM | None |
| Homo sapiens | Niemann-Pick C1 protein | Potency | 1258.9 | nM | None |
| Homo sapiens | Tyrosyl-DNA phosphodiesterase 1 | Potency | 580.5 | nM | None |
| Homo sapiens | Tyrosyl-DNA phosphodiesterase 1 | Potency | 1158.2 | nM | None |
| Influenza A virus | Nonstructural protein 1 | Potency | 7079.5 | nM | None |
| Plasmodium falciparum | Plasmodium falciparum | Potency | 165.1 | nM | None |
| Plasmodium falciparum | Plasmodium falciparum | Potency | 369.6 | nM | None |
| None | Unchecked | Potency | 461.1 | nM | None |
| None | Unchecked | Potency | 1835.6 | nM | None |
| None | Unchecked | Potency | 3162.3 | nM | None |