General
Preferred name
BACCATIN III
Synonyms
Baccatin ?? ()
Baccatin III ()
P&D ID
PD057112
CAS
27548-93-2
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
1
Organisms
0
Compound Sets
3
[[ a.name ]]
[[ ligand_id ]]
free of charge
External IDs
26
Properties
(calculated by RDKit )
Molecular Weight
586.24
Hydrogen Bond Acceptors
11
Hydrogen Bond Donors
3
Rotatable Bonds
4
Ring Count
5
Aromatic Ring Count
1
cLogP
1.65
TPSA
165.89
Fraction CSP3
0.61
Chiral centers
9.0
Largest ring
8.0
QED
0.27
Structural alerts
0
No structural alerts detected
Related compounds
Custom attributes
(extracted from source data)
Source data
