General
Preferred name
Orita-13
Synonyms
3',4',7-Trihydroxyisoflavone ()
7,3',4'-Trihydroxyisoflavone ()
3',4',7-Trihydroxyisoflavone ()
P&D ID
PD057176
CAS
485-63-2
Tags
available
drug candidate
nuisance
Drug indication
Discovery agent
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 7,3',4'-Trihydroxyisoflavone, a major metabolite of Daidzein, is an ATP-competitive inhibitor of Cot (Tpl2/MAP3K8) and MKK4. 7,3',4'-Trihydroxyisoflavone has anticancer, anti-angiogenic, chemoprotective, and free radical scavenging activities[1][2].
PRICE 29
DESCRIPTION Orita-13 is a prototypical inhibitor of the tautomerase activity of (MIF) . (GtoPdb)
DESCRIPTION 3',4',7-Trihydroxyisoflavone is a soy isoflavone soy glycoside derivative and Cot (Tpl2/MAP3K8) and MKK4 inhibitor with anticancer, antiangiogenic and free radical scavenging properties.3',4',7-Trihydroxyisoflavone enhances memory effects through modulation of cholinergic function and BDNF signaling pathway in mice.3',4',7-Trihydroxyisoflavone can improve skin barrier function impaired by endogenous or exogenous glucocorticoids and can be used in the study of atopic dermatitis. 3',4',7-Trihydroxyisoflavone enhances memory effects by modulating cholinergic function and BDNF signaling pathway in mice. It can improve the skin barrier function impaired by endogenous or exogenous glucocorticoids, and can be used in the study of atopic dermatitis. (TargetMol Bioactive Compound Library)
Cell lines
1
Organisms
1
Compound Sets
8
Cayman Chemical Bioactives
20930
DrugMAP
DM5JV8G
EU-OPENSCREEN Bioactive Compound Library
EOS102374
Guide to Pharmacology
9985
MedChem Express Bioactive Compound Library
HY-124953
Novartis Chemogenetic Library (NIBR MoA Box)
Nuisance compounds in cellular assays
TargetMol Bioactive Compound Library
TN1236
External IDs
34
Properties
(calculated by RDKit )
Molecular Weight
270.05
Hydrogen Bond Acceptors
5
Hydrogen Bond Donors
3
Rotatable Bonds
1
Ring Count
3
Aromatic Ring Count
3
cLogP
2.58
TPSA
90.9
Fraction CSP3
0.0
Chiral centers
0.0
Largest ring
6.0
QED
0.59
Structural alerts
1
Nonspecific/NOS
Flavonoid
Nuisance compounds
Custom attributes
(extracted from source data)
Target
MAP3K8
MKK4
Apoptosis
MAP3K
Member status
member
MOA
Macrophage Migration Inhibitory Factor (MIF) Inhibitors
Tyrosinase Inhibitors
Melanin Inhibitors
Pathway
MAPK
MAPK/ERK Pathway
Source data