General
Preferred name
NEVADENSIN
Synonyms
Pedunculin ()
Lysionotin ()
P&D ID
PD056580
CAS
10176-66-6
152743-19-6
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 Nevadensin (Lysionotin), a natural flavonoid, is a selective human carboxylesterase 1 (hCE1) inhibitor with an IC50 of 2.64 ¦ÌM. Nevadensin is more selective for hCE1 than hCE2 (IC50 of 132.8 ¦ÌM). Nevadensin can induce apoptosis and DNA damage in cancer cells. Nevadensin has a variety of pharmacological effects such as anti-inflammatory, anti-tumour, anti-hypertensive, anti-tubercular, antitussive, antioxidant and anti-microbial activities[1][2][3][4][5].
PRICE 48
DESCRIPTION Nevadensin is an important herb-based constituent inhibiting estragole bioactivation. Nevadensin protects against a methyleugenol-induced marker of hepatocarcinogenicity in male F344 rat. It also exhibits inhibition activity against Mycobacterium tuberculosis, with equal MIC value of 200 microg/mL. (TargetMol Bioactive Compound Library)
Cell lines
4
Organisms
0
Compound Sets
3
MedChem Express Bioactive Compound Library
HY-N1377
Selleckchem Bioactive Compound Library
nevadensin
lysionotin
TargetMol Bioactive Compound Library
T5722
External IDs
24
Properties
(calculated by RDKit )
Molecular Weight
344.09
Hydrogen Bond Acceptors
7
Hydrogen Bond Donors
2
Rotatable Bonds
4
Ring Count
3
Aromatic Ring Count
3
cLogP
2.9
TPSA
98.36
Fraction CSP3
0.17
Chiral centers
0.0
Largest ring
6.0
QED
0.75
Structural alerts
0
No structural alerts detected
Custom attributes
(extracted from source data)
Target
Anti-infection
Bacterial
Apoptosis
Carboxylesterase (CES)
DNA/RNA Synthesis
Immunology & Inflammation related
hCE1
Pathway
Microbiology/virology
Cell Cycle/DNA Damage
Metabolic Enzyme/Protease
Source data