General
Preferred name
ISORHAMNETIN
Synonyms
3-methylquercetin ()
3'-Methylquercetin ()
Isorhamnetol ()
3'-Methoxyquercetin ()
3-methylquercetin, 3'-Methoxyquercetin, Isorhamnetol ()
P&D ID
PD018337
CAS
480-19-3
Tags
available
drug candidate
Drug indication
Discovery agent
Drug Status
experimental
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 Isorhamnetin is a flavonoid compound extracted from the Chinese herb Hippophae rhamnoides L.. Isorhamnetin suppresses skin cancer through direct inhibition of MEK1 and PI3K.
PRICE 87
DESCRIPTION Isorhamnetin (3-methylquercetin) is the methylated metabolite of quercetin. Quercetin is an important dietary flavonoid with in vitro antioxidant activity. Isorhamnetin prevents endothelial cell injuries from oxidized LDL via inhibition of lectin-like ox-LDL receptor-1 upregulation, interference of ox-LDL-mediated intracellular signaling pathway (p38MAPK activation, NF-kappaB nuclear translocation, eNOS expression) and the antioxidant activity of isorhamnetin. Isorhamnetin prevents endothelial dysfunction, superoxide production, and overexpression of p47phox induced by angiotensin II. Isorhamnetin appears to be a potent drug against esophageal cancer due to it's in vitro potential to not only inhibit proliferation but also induce apoptosis of Eca-109 cells. (TargetMol Bioactive Compound Library)
Cell lines
4
Organisms
2
Compound Sets
7
Cayman Chemical Bioactives
16496
DrugBank
DB16767
DrugMAP
DMQ4Z6E
EU-OPENSCREEN Bioactive Compound Library
EOS100189
MedChem Express Bioactive Compound Library
HY-N0776
Selleckchem Bioactive Compound Library
isorhamnetin
TargetMol Bioactive Compound Library
T2836
External IDs
37
Properties
(calculated by RDKit )
Molecular Weight
316.06
Hydrogen Bond Acceptors
7
Hydrogen Bond Donors
4
Rotatable Bonds
2
Ring Count
3
Aromatic Ring Count
3
cLogP
2.29
TPSA
120.36
Fraction CSP3
0.06
Chiral centers
0.0
Largest ring
6.0
QED
0.57
Structural alerts
0
No structural alerts detected
Custom attributes
(extracted from source data)
Target
Endogenous Metabolite
MEK
PI3K
Tyrosinase
Pathway
MAPK
Metabolism
PI3K/Akt/mTOR signaling
MAPK/ERK Pathway
Metabolic Enzyme/Protease
PI3K/Akt/mTOR
Source data