General
Preferred name
RAFFINOSE
Synonyms
D-Raffinose Pentahydrate ()
Raffinose pentahydrate ()
D(+)-Raffinose (pentahydrate) ()
D-Raffinose (pentahydrate) ()
Melitose ()
Melitose, Melitriose ()
D-(+)-Raffinose pentahydrate ()
D(+)-Raffinose pentahydrate ()
D-(+)-Raffinose (hydrate) ()
P&D ID
PD088140
CAS
17629-30-0
512-69-6
Tags
available
drug candidate
Drug Status
investigational
Structure
Probe scores
P&D probe-likeness score
[[ v.score ]]%
Structure formats
[[ format ]]
[[ compound[format === 'MOL' ? 'molblock' : format.toLowerCase()] ]]
Description
(extracted from source data)
PRICE 29
DESCRIPTION D(+)-Raffinose pentahydrate is an orally active inhibitor of LecA (Kd = 32 ¦ÌM) and GtfC. D(+)-Raffinose pentahydrate reduces cyclic diguanylate (c-di-GMP) by increased activity of a c-di-GMP specific phosphodiesterase. D(+)-Raffinose pentahydrate interferes with GTF function. D(+)-Raffinose pentahydrate decreases IL-4 and IL-5 mRNA. D(+)-Raffinose pentahydrate exhibits biofilm-inhibitory activity against Pseudomonas aeruginosa and Streptococcus mutans and inhibits allergic airway eosinophilia[1][2][3].
DESCRIPTION Raffinose (Melitose) regulates intestinal flora, inhibits TLR4-MyD88-NF-¦ÊB signaling pathway, and activates Nrf2 signaling pathway. Raffinose exhibits anti-inflammatory, antioxidant, and immunomodulatory activities. Raffinose is orally active[1][2][3].
PRICE 29
DESCRIPTION Raffinose (Melitriose) is an indigestible short-chain oligosaccharide, a trisaccharide composed of galactose, glucose and fructose, found in many plants. It can be hydrolyzed by ??-galactosidase (??-GAL) to D-galactose and sucrose.
DESCRIPTION D(+)-Raffinose pentahydrate (D-Raffinose pentahydrate) is a naturally occurring trisaccharide composed of fructose, galactose, and glucose, found in various vegetables and grains. It functions as a functional oligosaccharide. (TargetMol Bioactive Compound Library)
Compound Sets
5
Cayman Chemical Bioactives
16773
DrugBank
DB16839
MedChem Express Bioactive Compound Library
HY-N1938
HY-N7088
Selleckchem Bioactive Compound Library
d-r-affinose-pentahydrate
raffinose
TargetMol Bioactive Compound Library
T3S0309
External IDs
43
Properties
(calculated by RDKit )
Molecular Weight
504.17
Hydrogen Bond Acceptors
16
Hydrogen Bond Donors
11
Rotatable Bonds
8
Ring Count
3
Aromatic Ring Count
0
cLogP
-7.57
TPSA
268.68
Fraction CSP3
1.0
Chiral centers
14.0
Largest ring
6.0
QED
0.15
Structural alerts
0
No structural alerts detected
Related compounds
Custom attributes
(extracted from source data)
Target
Endogenous Metabolite
Bacterial
Glucosylceramide Synthase (GCS)
Interleukin Related
Phosphodiesterase (PDE)
Autophagy
Keap1-Nrf2
MyD88
NF-κB
Toll-like Receptor (TLR)
Pathway
Metabolism
Anti-infection
Immunology/Inflammation
Metabolic Enzyme/Protease
Neuronal Signaling
NF-¦ÊB
Source data