General
Preferred name
SKIMMIANINE
Synonyms
Chloroxylonine ()
Skimmiamine ()
beta-Fagarine ()
4,7,8-trimethoxyfuro[2,3-b]quinoline ()
P&D ID
PD045673
CAS
5255-76-5
898044-50-3
83-95-4
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 Skimmianine is a furoquinoline alkaloid present mainly in the Rutaceae family, with antispastic, anti-inflammatory activities and antiplatelet aggregation effect. Skimmianine exhibits cytotoxicity against a variety of cancer cell lines and genotoxicity[1].
PRICE 162
DESCRIPTION 1. Skimmianine (Chloroxylonine) is a spasmolytic agent. 2. Skimmianine (Chloroxylonine) shows pharmacol. props. similar to 2-(Methylamino)-1-phenyl-1-propanol BCJ45-G.
DESCRIPTION Skimmianine is a furoquinoline alkaloid with analgesic, antispastic, anti-inflammatory activities and antiplatelet aggregation effect. Skimmianine exhibits cytotoxicity against a variety of cancer cell lines and genotoxicity. (Enamine Bioactive Compounds)
DESCRIPTION PUBCHEM_BIOASSAY: Cytochrome panel assay with activity outcomes. (Class of assay: other) Panel member name: p450-cyp1a2 Compounds with AC50 equal or less than 10 uM are considered active (TargetMol Bioactive Compound Library)
Cell lines
1
Organisms
1
Compound Sets
4
Cayman Chemical Bioactives
34643
Enamine Bioactive Compounds
EBC-06039
MedChem Express Bioactive Compound Library
HY-N2081
TargetMol Bioactive Compound Library
1481-0002
External IDs
28
Properties
(calculated by RDKit )
Molecular Weight
259.08
Hydrogen Bond Acceptors
5
Hydrogen Bond Donors
0
Rotatable Bonds
3
Ring Count
3
Aromatic Ring Count
3
cLogP
3.01
TPSA
53.72
Fraction CSP3
0.21
Chiral centers
0.0
Largest ring
6.0
QED
0.72
Structural alerts
0
No structural alerts detected
Custom attributes
(extracted from source data)
Target
Akt
Cholinesterase (ChE)
NF-κB
PI3K
Pathway
Neuronal Signaling
PI3K/Akt/mTOR
Source data