General
Preferred name
CROCIN
Synonyms
Crocin I ()
Crocetin Di(Beta-Gentiobiosyl)Ester ()
Crocetin di-gentiobiose ester ()
Crocin 1 ()
.alpha.-crocin ()
Crocin/Gardenia Extract ()
P&D ID
PD058893
CAS
42553-65-1
94238-00-3
39465-00-4
Tags
available
drug candidate
Drug Status
investigational
Max Phase
3.0
Drug indication
osteoarthritis, knee
Probe control
Probe control not defined
Orthogonal probes
0
No orthogonal probes found
Similar probes
0
No structurally similar probes found
Structure
P&D probe-likeness score
Structure formats
[[ format ]]
[[ compound[format === 'MOL' ? 'molblock' : format.toLowerCase()] ]]
Description
(extracted from source data)
DESCRIPTION
Crocin (Crocin I) is an orally active natural product that can be isolated from the stigma of Crocus sativus. Crocin inhibits tumor cell proliferation and promotes apoptosis through JAK pathway. Crocin has anti-inflammatory, antioxidant and antitumor activities [1][2].
[[ p.pathway_name ]]
[[ compound.targets[tid].gene_name ]]
Compound Sets
6
Cayman Chemical Bioactives
ChEMBL Drugs
DrugBank
MedChem Express Bioactive Compound Library
ReFrame library
Selleckchem Bioactive Compound Library
[[ a.name ]]
[[ ligand_id ]]
free of charge
External IDs
30
Molecular Weight
976.38
Hydrogen Bond Acceptors
24
Hydrogen Bond Donors
14
Rotatable Bonds
18
Ring Count
4
Aromatic Ring Count
0
cLogP
-5.23
TPSA
391.2
Fraction CSP3
0.64
Chiral centers
20.0
Largest ring
6.0
QED
0.03
Structural alerts
0
No structural alerts detected
Related compounds
Custom attributes
(extracted from source data)
Target
Apoptosis
Endogenous Metabolite
JAK
Pathway
Epigenetics
JAK/STAT Signaling
Metabolic Enzyme/Protease
Protein Tyrosine Kinase/RTK
Stem Cell/Wnt
Source data
