General
Preferred name
Caulilexin C
Synonyms
P&D ID
PD166540
CAS
30536-48-2
Tags
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 Caulilexin C is a phytoalexin from crucifers with antifungal activity[1].
DESCRIPTION Caulilexin C shows inhibitory activity on human Acyl CoA: cholesterol transferase I (hACATI) and on human Acyl CoA: cholesterol transferase 2 (hACAT2) at 100 mug/ml. (TargetMol Bioactive Compound Library)
Compound Sets
2
MedChem Express Bioactive Compound Library
HY-N3556
TargetMol Bioactive Compound Library
TN1474
External IDs
15
Properties
(calculated by RDKit )
Molecular Weight
186.08
Hydrogen Bond Acceptors
3
Hydrogen Bond Donors
0
Rotatable Bonds
2
Ring Count
2
Aromatic Ring Count
2
cLogP
1.77
TPSA
37.95
Fraction CSP3
0.18
Chiral centers
0.0
Largest ring
6.0
QED
0.72
Structural alerts
0
No structural alerts detected
Custom attributes
(extracted from source data)
Pathway
Microbiology/virology
Anti-infection
Target
Fungal
hACAT2
hACATI
Source data