General
Preferred name
PD012455
Synonyms
10-Deacetylbaccatin III ()
10-Deacetylbaccatin-III ()
10-DB III ()
P&D ID
PD012455
CAS
32981-86-5
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
3
Organisms
0
Compound Sets
5
Cayman Chemical Bioactives
Drug Repurposing Hub
MedChem Express Bioactive Compound Library
Selleckchem Bioactive Compound Library
TargetMol Bioactive Compound Library
[[ a.name ]]
[[ ligand_id ]]
free of charge
External IDs
25
Properties
(calculated by RDKit )
Molecular Weight
544.23
Hydrogen Bond Acceptors
10
Hydrogen Bond Donors
4
Rotatable Bonds
3
Ring Count
5
Aromatic Ring Count
1
cLogP
1.08
TPSA
159.82
Fraction CSP3
0.62
Chiral centers
9.0
Largest ring
8.0
QED
0.32
Structural alerts
0
No structural alerts detected
Related compounds
Custom attributes
(extracted from source data)
MOA
antitumor agent
Target
Antineoplastic and Immunosuppressive Antibiotics
Source data
