Crocin

Base Information

• Chemical Name: Crocin
• CAS No.: 94238-00-3
• Deprecated CAS: 11012-59-2,1329-79-9,53178-29-3,52841-81-3,1160167-03-2
• Molecular Formula: C44H64O24
• Molecular Weight: 976.96500
• Hs Code.: 3203001990
• European Community (EC) Number: 254-465-1,255-881-6,692-668-0
• UNII: 877GWI46C2
• ChEMBL ID: CHEMBL446785
• DSSTox Substance ID: DTXSID7046172
• Metabolomics Workbench ID: 38154
• NCI Thesaurus Code: C71823
• Nikkaji Number: J16.015F
• Wikidata: Q424767
• Wikipedia: Crocin
• Mol file: 94238-00-3.mol

Synonyms:alpha-crocin;crocin

Chemical Property of Crocin

Chemical Property:

• Appearance/Colour: Orange yellow to reddish yellow powder
• Boiling Point: 1169oC at 760mmHg
• Flash Point: 337.7oC
• PSA: 391.20000
• Density: 1.54g/cm3
• LogP: -5.22520
• XLogP3: -2.5
• Hydrogen Bond Donor Count: 14
• Hydrogen Bond Acceptor Count: 24
• Rotatable Bond Count: 20
• Exact Mass: 976.37875290
• Heavy Atom Count: 68
• Complexity: 1730

Purity/Quality:

99% up ^*data from raw suppliers

Gardenia yellow ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(=CC=CC=C(C)C=CC=C(C)C(=O)OC1C(C(C(C(O1)COC2C(C(C(C(O2)CO)O)O)O)O)O)O)C=CC=C(C)C(=O)OC3C(C(C(C(O3)COC4C(C(C(C(O4)CO)O)O)O)O)O)O
• Isomeric SMILES: C/C(=C\C=C\C=C(\C=C\C=C(\C(=O)O[C@@H]1O[C@@H]([C@H]([C@@H]([C@H]1O)O)O)CO[C@@H]2O[C@@H]([C@H]([C@@H]([C@H]2O)O)O)CO)/C)/C)/C=C/C=C(/C(=O)O[C@@H]3O[C@@H]([C@H]([C@@H]([C@H]3O)O)O)CO[C@@H]4O[C@@H]([C@H]([C@@H]([C@H]4O)O)O)CO)\C
• Recent ClinicalTrials: Follow up Study of Crocin on Cardiac Function Protection in Patients With Breast Cancer Undergoing Neoadjuvant Chemotherapy Based on Color Doppler Ultrasound Combined With Myocardial Zymogram
• Recent NIPH Clinical Trials: Effect of saffron foods for quality of sleep on healthy human