General
Preferred name
ISORHAMNETIN
Synonyms
3'-Methylquercetin ()
3-methylquercetin ()
3'-Methoxyquercetin ()
Isorhamnetol ()
3-methylquercetin, 3'-Methoxyquercetin, Isorhamnetol ()
Isorhamnetine ()
P&D ID
PD018337
CAS
480-19-3
Tags
drug candidate
natural product
available
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()] ]]
Cell lines
3
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
36
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)
Pathway
MAPK
PI3K/Akt/mTOR
MAPK/ERK Pathway
Metabolic Enzyme/Protease
Target
MEK
PI3K
Endogenous Metabolite
Tyrosinase
Source data