General
Preferred name
PD167461
Synonyms
10-Deacetyl-7-xylosyl paclitaxel ()
10-Deacetyl-7-xylosyltaxol, 7-xylosyl-10-deacetylpaclitaxel ()
P&D ID
PD167461
CAS
90332-63-1
Tags
natural product
available
Probe control
Probe control not defined
Orthogonal probes
0
No orthogonal probes found
Similar probes
0
No structurally similar probes found
Structure
P&D probe-likeness score
Structure formats
[[ format ]]
[[ compound[format === 'MOL' ? 'molblock' : format.toLowerCase()] ]]
[[ p.pathway_name ]]
[[ compound.targets[tid].gene_name ]]
Compound Sets
1
Selleckchem Bioactive Compound Library
[[ a.name ]]
[[ ligand_id ]]
free of charge
External IDs
6
Properties
(calculated by RDKit )
Molecular Weight
943.36
Hydrogen Bond Acceptors
17
Hydrogen Bond Donors
7
Rotatable Bonds
11
Ring Count
8
Aromatic Ring Count
3
cLogP
1.63
TPSA
274.14
Fraction CSP3
0.5
Chiral centers
15.0
Largest ring
8.0
QED
0.08
Structural alerts
0
No structural alerts detected
Related compounds
Custom attributes
(extracted from source data)
Target
Bcl-2,Caspase
Source data
