General
Preferred name
ALPHA-BISABOLOL
Synonyms
(??)-??-Bisabolol ()
(¡À)-¦Á-Bisabolol ()
(±)-?-Bisabolol ()
P&D ID
PD124059
CAS
515-69-5
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 ]]
Compound Sets
3
[[ a.name ]]
[[ ligand_id ]]
free of charge
External IDs
22
Properties
(calculated by RDKit )
Molecular Weight
222.2
Hydrogen Bond Acceptors
1
Hydrogen Bond Donors
1
Rotatable Bonds
4
Ring Count
1
Aromatic Ring Count
0
cLogP
4.23
TPSA
20.23
Fraction CSP3
0.73
Chiral centers
2.0
Largest ring
6.0
QED
0.71
Structural alerts
0
No structural alerts detected
Related compounds
Custom attributes
(extracted from source data)
Pathway
Apoptosis
PI3K/Akt/mTOR
Target
PI3K
Anti-infection,Immunology & Inflammation related
Source data
