General
Preferred name
Delphinidin 3-glucoside chloride
Synonyms
Delphinidin 3-glucoside (chloride) ()
Delphinidin 3-O-glucoside (chloride) ()
Delphinidin 3-O-β-glucoside (chloride) ()
Delphinidin 3-O-¦Â-glucoside (chloride) ()
Delphinidin-3-?-D-glucoside (chloride) ()
P&D ID
PD041714
CAS
50986-17-9
26984-07-6
6906-38-3
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 Delphinidin 3-glucoside chloride (Delphinidin 3-O-glucoside chloride) is an active anthocyanin found in Hibiscus sabdariffa extract. Delphinidin 3-glucoside chloride induces a pro-apoptotic effect in B cell chronic lymphocytic leukaemia (B CLL)[1]. Delphinidin 3-glucoside chloride exerts phytoestrogen activity by binding to ER¦Â, with an IC50 of 9.7 ¦ÌM[2]. Delphinidin-3-O-glucoside chloride inhibits EGFR with an IC50 of 2.37 ¦ÌM[3]. Delphinidin 3-glucoside chloride exhibits antitumor effects through pAKT/IRF1/HOTAIR pathway. Delphinidin 3-glucoside chloride exhibits efficacy against oxidative stress, inhibits platelet activation and endothelial dysfunction[4][5][6].
PRICE 230
DESCRIPTION Delphinidin 3-glucoside chloride (Delphinidin-3-O-glucoside chloride) is a dietary phenolic substance found in Hibiscus sabdariffa extracts. Delphinidin 3-glucoside chloride has antioxidant activity, induces pro-apoptotic effects in B-cell chronic lymphocytic leukemia (B CLL), inhibits EGFR, and inhibits platelet aggregation. Delphinidin 3-glucoside chloride has antitumor activity, and is known to inhibit platelet aggregation by modulating pAKT/IRF1/IRF1/IRF1/IRF1/IRF1/IRF1/IRF1/IRF1/IRF1. Delphinidin 3-glucoside chloride has anti-tumor activity and acts by regulating the pAKT/IRF1/HOTAIR pathway.
Cell lines
1
Organisms
0
Compound Sets
2
Cayman Chemical Bioactives
16093
MedChem Express Bioactive Compound Library
HY-108052
External IDs
42
Properties
(calculated by RDKit )
Molecular Weight
465.1
Hydrogen Bond Acceptors
11
Hydrogen Bond Donors
9
Rotatable Bonds
4
Ring Count
4
Aromatic Ring Count
3
cLogP
0.09
TPSA
211.83
Fraction CSP3
0.29
Chiral centers
5.0
Largest ring
6.0
QED
0.19
Structural alerts
0
No structural alerts detected
Related compounds
Custom attributes
(extracted from source data)
Pathway
Apoptosis
JAK/STAT Signaling
PI3K/Akt/mTOR
Protein Tyrosine Kinase/RTK
Target
Akt
EGFR
Source data