Crocin
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This drug entry is a stub and has not been fully annotated. It is scheduled to be annotated soon.
Explore a selection of our essential drug information below, or:
Identification
- Generic Name
- Crocin
- DrugBank Accession Number
- DB11874
- Background
Crocin has been investigated for the treatment of Hyperglycemia, Metabolic Syndrome, Hypertriglyceridemia, and Hypercholesterolemia.
- Type
- Small Molecule
- Groups
- Investigational
- Structure
- Weight
- Average: 976.972
Monoisotopic: 976.378752941 - Chemical Formula
- C44H64O24
- Synonyms
- Not Available
Pharmacology
- Indication
Not Available
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- Pharmacodynamics
Not Available
- Mechanism of action
- Not Available
- Absorption
Not Available
- Volume of distribution
Not Available
- Protein binding
Not Available
- Metabolism
- Not Available
- Route of elimination
Not Available
- Half-life
Not Available
- Clearance
Not Available
- Adverse Effects
- Improve decision support & research outcomesWith structured adverse effects data, including: blackbox warnings, adverse reactions, warning & precautions, & incidence rates. View sample adverse effects data in our new Data Library!Improve decision support & research outcomes with our structured adverse effects data.
- Toxicity
Not Available
- Pathways
- Not Available
- Pharmacogenomic Effects/ADRs
- Not Available
Interactions
- Drug Interactions
- This information should not be interpreted without the help of a healthcare provider. If you believe you are experiencing an interaction, contact a healthcare provider immediately. The absence of an interaction does not necessarily mean no interactions exist.Not Available
- Food Interactions
- Not Available
Categories
- Drug Categories
- Chemical TaxonomyProvided by Classyfire
- Description
- This compound belongs to the class of organic compounds known as diterpenoids. These are terpene compounds formed by four isoprene units.
- Kingdom
- Organic compounds
- Super Class
- Lipids and lipid-like molecules
- Class
- Prenol lipids
- Sub Class
- Diterpenoids
- Direct Parent
- Diterpenoids
- Alternative Parents
- O-glycosyl compounds / Disaccharides / Fatty acid esters / Oxanes / Dicarboxylic acids and derivatives / Enoate esters / Secondary alcohols / Polyols / Oxacyclic compounds / Acetals show 4 more
- Substituents
- Acetal / Alcohol / Aliphatic heteromonocyclic compound / Alpha,beta-unsaturated carboxylic ester / Carbonyl group / Carboxylic acid derivative / Carboxylic acid ester / Dicarboxylic acid or derivatives / Disaccharide / Diterpenoid show 15 more
- Molecular Framework
- Aliphatic heteromonocyclic compounds
- External Descriptors
- diester, disaccharide derivative, diterpenoid (CHEBI:79068)
- Affected organisms
- Not Available
Chemical Identifiers
- UNII
- 877GWI46C2
- CAS number
- 42553-65-1
- InChI Key
- SEBIKDIMAPSUBY-RTJKDTQDSA-N
- InChI
- InChI=1S/C44H64O24/c1-19(11-7-13-21(3)39(59)67-43-37(57)33(53)29(49)25(65-43)17-61-41-35(55)31(51)27(47)23(15-45)63-41)9-5-6-10-20(2)12-8-14-22(4)40(60)68-44-38(58)34(54)30(50)26(66-44)18-62-42-36(56)32(52)28(48)24(16-46)64-42/h5-14,23-38,41-58H,15-18H2,1-4H3/b6-5+,11-7+,12-8+,19-9+,20-10+,21-13+,22-14+/t23-,24-,25-,26-,27-,28-,29-,30-,31+,32+,33+,34+,35-,36-,37-,38-,41-,42-,43+,44+/m1/s1
- IUPAC Name
- bis[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-({[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}methyl)oxan-2-yl] (2E,4E,6E,8E,10E,12E,14E)-2,6,11,15-tetramethylhexadeca-2,4,6,8,10,12,14-heptaenedioate
- SMILES
- C\C(\C=C\C=C(/C)C(=O)O[C@@H]1O[C@H](CO[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@H](O)[C@H]1O)=C/C=C/C=C(\C)/C=C/C=C(\C)C(=O)O[C@@H]1O[C@H](CO[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@H](O)[C@H]1O
References
- General References
- Not Available
- External Links
- Human Metabolome Database
- HMDB0002398
- KEGG Compound
- C08589
- PubChem Compound
- 5281233
- PubChem Substance
- 347828211
- ChemSpider
- 4444645
- BindingDB
- 50260195
- 2262278
- ChEBI
- 79068
- ChEMBL
- CHEMBL446785
- ZINC
- ZINC000245224178
- Wikipedia
- Crocin
Clinical Trials
- Clinical Trials
Clinical Trial & Rare Diseases Add-on Data Package
Explore 4,000+ rare diseases, orphan drugs & condition pairs, clinical trial why stopped data, & more. Preview package Phase Status Purpose Conditions Count Start Date Why Stopped 100+ additional columns Unlock 175K+ rows when you subscribe.View sample dataNot Available Active Not Recruiting Not Available Breast Cancer 1 somestatus stop reason just information to hide Not Available Recruiting Treatment Neurodegenerative Disorders / Parkinson's Disease (PD) 1 somestatus stop reason just information to hide Not Available Unknown Status Prevention Breast Cancer 1 somestatus stop reason just information to hide 4 Completed Treatment High Cholesterol / Hyperglycemia / Hypertriglyceridemias / Syndrome, Metabolic 1 somestatus stop reason just information to hide 3 Completed Treatment Patent Ductus Arteriosus (PDA) 1 somestatus stop reason just information to hide
Pharmacoeconomics
- Manufacturers
- Not Available
- Packagers
- Not Available
- Dosage Forms
- Not Available
- Prices
- Not Available
- Patents
- Not Available
Properties
- State
- Not Available
- Experimental Properties
- Not Available
- Predicted Properties
Property Value Source Water Solubility 0.567 mg/mL ALOGPS logP -0.02 ALOGPS logP -3.2 Chemaxon logS -3.2 ALOGPS pKa (Strongest Acidic) 11.67 Chemaxon pKa (Strongest Basic) -3.7 Chemaxon Physiological Charge 0 Chemaxon Hydrogen Acceptor Count 22 Chemaxon Hydrogen Donor Count 14 Chemaxon Polar Surface Area 391.2 Å2 Chemaxon Rotatable Bond Count 20 Chemaxon Refractivity 233.49 m3·mol-1 Chemaxon Polarizability 99.47 Å3 Chemaxon Number of Rings 4 Chemaxon Bioavailability 0 Chemaxon Rule of Five No Chemaxon Ghose Filter No Chemaxon Veber's Rule No Chemaxon MDDR-like Rule Yes Chemaxon - Predicted ADMET Features
- Not Available
Spectra
- Mass Spec (NIST)
- Not Available
- Spectra
- Chromatographic Properties
Collision Cross Sections (CCS)
Adduct CCS Value (Å2) Source type Source [M-H]- 380.8649947 predictedDarkChem Lite v0.1.0 [M-H]- 376.6792947 predictedDarkChem Lite v0.1.0 [M-H]- 373.4338947 predictedDarkChem Lite v0.1.0 [M-H]- 289.80618 predictedDeepCCS 1.0 (2019) [M+H]+ 380.7087947 predictedDarkChem Lite v0.1.0 [M+H]+ 373.0289947 predictedDarkChem Lite v0.1.0 [M+H]+ 291.52988 predictedDeepCCS 1.0 (2019) [M+Na]+ 381.5634947 predictedDarkChem Lite v0.1.0 [M+Na]+ 297.7131 predictedDeepCCS 1.0 (2019)
Drug created at October 20, 2016 20:56 / Updated at June 12, 2020 16:53