General
Preferred name
Madecassoside
Synonyms
Asiaticoside A ()
P&D ID
PD043673
CAS
34540-22-2
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 Madecassoside is a pentacyclic triterpene isolated from Centella asiatica and has anti-inflammatory properties. Antioxidant and anti-aging effects.;Madecassoside is a pentacyclic triterpene isolated from Centella asiatica. Madecassoside is orally active and has inhibitory properties against inflammation, oxidation, apoptosis and autophagy. Madecassosid inhibits activities of p38 MAPK and NF-kB[5][6], exhibits an anti-apopototic property, activates Nrf2 expression to reduce the neurotoxicity[10]. Madecassoside can be used in endocrine diseases, cardiovascular diseases, skin diseases and other diseases.
Compound Sets
2
Cayman Chemical Bioactives
11855
MedChem Express Bioactive Compound Library
HY-N0568
External IDs
11
Properties
(calculated by RDKit )
Molecular Weight
974.51
Hydrogen Bond Acceptors
20
Hydrogen Bond Donors
13
Rotatable Bonds
9
Ring Count
8
Aromatic Ring Count
0
cLogP
-2.06
TPSA
335.44
Fraction CSP3
0.94
Chiral centers
28.0
Largest ring
6.0
QED
0.09
Structural alerts
1
Saponin/tannin
Detergent-like effects
Nuisance compounds
Related compounds
Custom attributes
(extracted from source data)
Target
Apoptosis
Autophagy
Caspase
Endogenous Metabolite
Keap1-Nrf2
p38 MAPK
Pathway
MAPK/ERK Pathway
Metabolic Enzyme/Protease
NF-κB
NF-¦ÊB
Source data