General
Preferred name
Deacetyltaxol
Synonyms
10-Deacetylpaclitaxel ()
10-Deacetyltaxol ()
10-deacetyl-paclitaxel ()
10-DAT, Deacetyl Paclitaxel ()
10-deacetyl Paclitaxel ()
P&D ID
PD088403
CAS
78432-77-6
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 ]]
Cell lines
2
Organisms
0
Compound Sets
4
Cayman Chemical Bioactives
CZ-OPENSCREEN Bioactive Library
MedChem Express Bioactive Compound Library
Selleckchem Bioactive Compound Library
[[ a.name ]]
[[ ligand_id ]]
free of charge
External IDs
17
Properties
(calculated by RDKit )
Molecular Weight
811.32
Hydrogen Bond Acceptors
13
Hydrogen Bond Donors
5
Rotatable Bonds
9
Ring Count
7
Aromatic Ring Count
3
cLogP
3.16
TPSA
215.22
Fraction CSP3
0.44
Chiral centers
11.0
Largest ring
8.0
QED
0.12
Structural alerts
0
No structural alerts detected
Related compounds
Custom attributes
(extracted from source data)
Pathway
Cell Cycle/DNA Damage
cytoskeleton
Target
Microtubule/Tubulin
Source data
