General
Preferred name
CROCIN
Synonyms
Gardenia Yellow ()
Alpha-Crocin ()
Crocine ()
Crocin I ()
Crocetin di-gentiobiose ester ()
Crocin 1 ()
Crocetin Di(Beta-Gentiobiosyl)Ester ()
.alpha.-crocin ()
Crocin/Gardenia Extract ()
P&D ID
PD058893
CAS
94238-00-3
42553-65-1
39465-00-4
Tags
drug candidate
natural product
available
Drug Status
investigational
Max Phase
Phase 3
Structure
Probe scores
P&D probe-likeness score
[[ v.score ]]%
Structure formats
[[ format ]]
[[ compound[format === 'MOL' ? 'molblock' : format.toLowerCase()] ]]
Compound Sets
7
Cayman Chemical Bioactives
26337
ChEMBL Drugs
CHEMBL446785
DrugBank
DB11874
MedChem Express Bioactive Compound Library
HY-N0697
ReFrame library
Selleckchem Bioactive Compound Library
crocin-i
TargetMol Bioactive Compound Library
T3S0175
External IDs
28
Properties
(calculated by RDKit )
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)
Pathway
Metabolic Enzyme/Protease
Target
Endogenous Metabolite
Source data