General
Preferred name
ANDROGRAPANIN
Synonyms
19-HYDROXY-8(17),13-LABDADIEN-16,15-OLIDE ()
P&D ID
PD171577
CAS
82209-74-3
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 Andrograpanin, a bioactive compound from Andrographis paniculata, exhibits anti-inflammatory and anti-infectious properties[1][2].
PRICE 155
DESCRIPTION Andrograpanin (19-HYDROXY-8(17),13-LABDADIEN-16,15-OLIDE) is a bioactive compound from Andrographis paniculata. Andrograpanin has anti-inflammatory and anti-infectious properties. (TargetMol Bioactive Compound Library)
Cell lines
2
Organisms
0
Compound Sets
3
MedChem Express Bioactive Compound Library
Selleckchem Bioactive Compound Library
TargetMol Bioactive Compound Library
External IDs
12
Properties
(calculated by RDKit )
Molecular Weight
318.22
Hydrogen Bond Acceptors
3
Hydrogen Bond Donors
1
Rotatable Bonds
4
Ring Count
3
Aromatic Ring Count
0
cLogP
4.02
TPSA
46.53
Fraction CSP3
0.75
Chiral centers
4.0
Largest ring
6.0
QED
0.63
Structural alerts
0
No structural alerts detected
Custom attributes
(extracted from source data)
Target
p38 MAPK
NOS
Pathway
MAPK/ERK Pathway
MAPK
Source data