General
Preferred name
DEMETHYLSUBEROSIN
Synonyms
7-Demethylsuberosin ()
P&D ID
PD125448
CAS
21422-04-8
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 Demethylsuberosin (7-Demethylsuberosin) is a coumarin compound found in Angelica gigas Nakai. Demethylsuberosin exerts antihypertensive effects by inhibiting the L-type CaV1.2 channel. Demethylsuberosin has antioxidant and anti-inflammatory activities. Demethylsuberosin also exhibits neuroprotective activities against glutamate-induced toxicity in primary cultured rat cortical cells[1][2][3].
PRICE 51
DESCRIPTION 7-Demethylsuberosin (7-demethylsuberosin) is a coumarin compound isolated from Angelica gigas Nakai,and has anti-inflammatory activity,and exhibited inhibitory effects on PGE2 production with the IC50 values of 9.42 ??M.
DESCRIPTION 7-Demethylsuberosin (7-demethylsuberosin) is a coumarin compound isolated from Angelica gigas Nakai,and has anti-inflammatory activity,and exhibited inhibitory effects on PGE2 production with the IC50 values of 9.42 μM. (TargetMol Bioactive Compound Library)
Compound Sets
4
Cayman Chemical Bioactives
35282
MedChem Express Bioactive Compound Library
HY-N2488
Selleckchem Bioactive Compound Library
demethylsuberosin
TargetMol Bioactive Compound Library
T5774
External IDs
24
Properties
(calculated by RDKit )
Molecular Weight
230.09
Hydrogen Bond Acceptors
3
Hydrogen Bond Donors
1
Rotatable Bonds
2
Ring Count
2
Aromatic Ring Count
2
cLogP
3.01
TPSA
50.44
Fraction CSP3
0.21
Chiral centers
0.0
Largest ring
6.0
QED
0.64
Structural alerts
0
No structural alerts detected
Custom attributes
(extracted from source data)
Target
PGE2
Calcium Channel
NO Synthase
C. gloeosporioides
Pathway
GPCR/G protein
Immunology/Inflammation
Membrane Transporter/Ion Channel
Neuronal Signaling
Source data