General
Preferred name
Rupestonic acid
Synonyms
PECHUELOIC ACID ()
P&D ID
PD166538
CAS
83161-56-2
115473-63-7
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 Rupestonic acid, a sesquiterpene, can inhibit influenza virus[1].
PRICE 165
DESCRIPTION Rupestonic acid is a compound in Artemisia rupestris L., a well-known traditional Uighur medicine for the treatment of colds. Rupestonic acid has an anti-influenza virus activity. (TargetMol Bioactive Compound Library)
Cell lines
1
Organisms
2
Compound Sets
3
MedChem Express Bioactive Compound Library
Selleckchem Bioactive Compound Library
TargetMol Bioactive Compound Library
External IDs
15
Properties
(calculated by RDKit )
Molecular Weight
248.14
Hydrogen Bond Acceptors
2
Hydrogen Bond Donors
1
Rotatable Bonds
2
Ring Count
2
Aromatic Ring Count
0
cLogP
2.97
TPSA
54.37
Fraction CSP3
0.6
Chiral centers
3.0
Largest ring
7.0
QED
0.76
Structural alerts
0
No structural alerts detected
Custom attributes
(extracted from source data)
Target
Nrf2
p38
ERK
Influenza Virus
Pathway
Immunology/Inflammation
MAPK
Microbiology/virology
Anti-infection
Source data