General
Preferred name
DIOSCIN
Synonyms
Dioscin (Collettiside III) ()
Collettiside III ()
CCRIS 4123 ()
Collettiside III, Saponin ()
Dioscin ()
P&D ID
PD012045
CAS
19057-60-4
Tags
available
drug candidate
nuisance
Drug indication
Hepatic fibrosis
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 Dioscin (CCRIS 4123; Collettiside III) is a natural plant-derived steroidal saponin that has good anti-cancer activity against a variety of cancer cells. Dioscin causes DNA damage and induces apoptosis in HeLa and SiHa cells. Dioscin regulates ROS-mediated DNA damage and mitochondrial signaling pathways, exerting anticancer activity[1][2][3][4][5][6].
Cell lines
22
Organisms
0
Compound Sets
9
AdooQ Bioactive Compound Library
Cayman Chemical Bioactives
Drug Repurposing Hub
DrugMAP
EU-OPENSCREEN Bioactive Compound Library
Guide to Pharmacology
MedChem Express Bioactive Compound Library
Nuisance compounds in cellular assays
Selleckchem Bioactive Compound Library
External IDs
28
Properties
(calculated by RDKit )
Molecular Weight
868.48
Hydrogen Bond Acceptors
16
Hydrogen Bond Donors
8
Rotatable Bonds
7
Ring Count
9
Aromatic Ring Count
0
cLogP
1.24
TPSA
235.68
Fraction CSP3
0.96
Chiral centers
26.0
Largest ring
6.0
QED
0.17
Structural alerts
1
Saponin/tannin
Detergent-like effects
Nuisance compounds
Custom attributes
(extracted from source data)
Target
CXCR3
Apoptosis
Autophagy
MOA
apoptosis stimulant
Source data