General
Preferred name
STIGMASTEROL
Synonyms
beta-Stigmasterol ()
Stigmasterol (Stigmasterin) ()
P&D ID
PD017693
CAS
83-48-7
Tags
natural product
available
Structure
Probe scores
P&D probe-likeness score
[[ v.score ]]%
Structure formats
[[ format ]]
[[ compound[format === 'MOL' ? 'molblock' : format.toLowerCase()] ]]
Description
(extracted from source data)
DESCRIPTION Stigmasterol is an unsaturated plant sterol, which may be useful in prevention of certain cancers. (BOC Sciences Bioactive Compounds)
Cell lines
5
Organisms
0
Compound Sets
5
AdooQ Bioactive Compound Library
BOC Sciences Bioactive Compounds
Cayman Chemical Bioactives
Drug Repurposing Hub
MedChem Express Bioactive Compound Library
External IDs
32
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)
MOA
MMP
Pathway
Proteases/Proteasome
Metabolic Enzyme/Protease
Target
Endogenous Metabolite
Solubility
Soluble in CHCl3 (50 mg/ml), and chloroform. Insoluble in water.
Source data