General
Preferred name
α-Spinasterol
Synonyms
alpha-Spinasterol ()
?-Spinasterol ()
P&D ID
PD069730
CAS
481-18-5
Tags
natural product
available
Structure
Probe scores
P&D probe-likeness score
[[ v.score ]]%
Structure formats
[[ format ]]
[[ compound[format === 'MOL' ? 'molblock' : format.toLowerCase()] ]]
Compound Sets
3
Cayman Chemical Bioactives
14197
MedChem Express Bioactive Compound Library
HY-N6962
TargetMol Bioactive Compound Library
TN1377
External IDs
24
Properties
(calculated by RDKit )
Molecular Weight
412.37
Hydrogen Bond Acceptors
1
Hydrogen Bond Donors
1
Rotatable Bonds
5
Ring Count
4
Aromatic Ring Count
0
cLogP
7.8
TPSA
20.23
Fraction CSP3
0.86
Chiral centers
9.0
Largest ring
6.0
QED
0.46
Structural alerts
0
No structural alerts detected
Custom attributes
(extracted from source data)
Pathway
Immunology/Inflammation
Neuroscience
Membrane Transporter/Ion Channel
Anti-infection
Neuronal Signaling
Target
COX-1
COX-2
TRPV1
Bacterial
COX
TRP Channel
Source data