Curcumin glucuronide
Showing entry for Curcumin glucuronide
Identification
- PhytoHub ID
- PHUB001409
- Name
- Curcumin glucuronide
- Systematic Name
- Curcumin glucuronide
- Synonyms
- Not Available
- CAS Number
- Not Available
- Average Mass
- 544.509
- Monoisotopic Mass
- 544.158076342
- Chemical Formula
- C27H28O12
- IUPAC Name
- Not Available
- InChI Key
- BNSAVBGHRVFVNN-XSCLDSQRSA-N
- InChI Identifier
InChI=1S/C27H28O12/c1-36-20-11-14(5-9-18(20)30)3-7-16(28)13-17(29)8-4-15-6-10-19(21(12-15)37-2)38-27-24(33)22(31)23(32)25(39-27)26(34)35/h3-12,22-25,27,30-33H,13H2,1-2H3,(H,34,35)/b7-3+,8-4+/t22-,23-,24+,25-,27+/m0/s1
- SMILES
COC1=CC(\C=C\C(=O)CC(=O)\C=C\C2=CC(OC)=C(O)C=C2)=CC=C1O[C@@H]1O[C@@H]([C@@H](O)[C@H](O)[C@H]1O)C(O)=O
- Structure
Structure for Curcumin glucuronide
Calculated Properties
- Solubility (ALOGPS)
- Not Available
- LogS (ALOGPS)
- Not Available
- LogP (ALOGPS)
- Not Available
- Hydrogen Acceptors
- 12
- Hydrogen Donors
- 5
- Rotatable Bond Count
- 11
- Polar Surface Area
- 189.27999999999997
- Refractivity
- 135.82239999999993
- Polarizability
- Not Available
- Formal Charge
- Not Available
- Physiological Charge
- Not Available
- pKa (strongest basic)
- -3.6868279760638365
- pKa (strongest acidic)
- 3.1490481188483703
- Number of Rings
- Not Available
- Rule of Five
- No
- Bioavailability
- No
- Ghose Filter
- No
- Veber's Rule
- No
- MDDR-like Rule
- No
External Links
- PubChem
- 71315012
- Chemistry Dashboard
- DTXSID20747384
- PeakForestCompound
- 000858
Taxonomy as Metabolite
- Family
- (Poly)phenol metabolites
- Class
- Miscellaneous polyphenol metabolites
- Sub-class
- Curcuminoid metabolites
Taxonomy of its Food Phytochemical Precursor(s)
| Food Phytochemical | Family | Class | Sub-class | |
|---|---|---|---|---|
| Curcumin | Polyphenols | Miscellaneous polyphenols | Not Available | Show Food Phytochemical |
Classyfire Taxonomy
- Kingdom Name
- Organic compounds
- Class
- Diarylheptanoids
- Super-class
- Phenylpropanoids and polyketides
- Sub-class
- Linear diarylheptanoids
- Direct Parent Name
- Curcuminoids
- Alternative Parent Names
- ["1-hydroxy-2-unsubstituted benzenoids", "Acetals", "Acryloyl compounds", "Aldehydes", "Alkyl aryl ethers", "Alkyl glycosides", "Anisoles", "Beta hydroxy acids and derivatives", "Beta-diketones", "Carboxylic acids", "Enones", "Fatty acyl glycosides of mono- and disaccharides", "Hydrocarbon derivatives", "Hydroxycinnamic acids and derivatives", "Ketones", "Methoxybenzenes", "Methoxyphenols", "Monocarboxylic acids and derivatives", "Monosaccharides", "O-glucuronides", "O-glycosyl compounds", "Organic oxides", "Oxacyclic compounds", "Oxanes", "Phenolic glycosides", "Phenoxy compounds", "Polyols", "Pyrans", "Secondary alcohols", "Styrenes"]
- External Descriptor Annotations
- Not Available
- Substituent Names
- ["1,3-dicarbonyl compound", "1,3-diketone", "1-hydroxy-2-unsubstituted benzenoid", "1-o-glucuronide", "Acetal", "Acryloyl-group", "Alcohol", "Aldehyde", "Alkyl aryl ether", "Alkyl glycoside", "Alpha,beta-unsaturated ketone", "Anisole", "Aromatic heteromonocyclic compound", "Benzenoid", "Beta-hydroxy acid", "Carbonyl group", "Carboxylic acid", "Carboxylic acid derivative", "Cinnamic acid or derivatives", "Curcumin", "Enone", "Ether", "Fatty acyl", "Fatty acyl glycoside", "Fatty acyl glycoside of mono- or disaccharide", "Glucuronic acid or derivatives", "Glycosyl compound", "Hydrocarbon derivative", "Hydroxy acid", "Hydroxycinnamic acid or derivatives", "Ketone", "Methoxybenzene", "Methoxyphenol", "Monocarboxylic acid or derivatives", "Monocyclic benzene moiety", "Monosaccharide", "O-glucuronide", "O-glycosyl compound", "Organic oxide", "Organic oxygen compound", "Organoheterocyclic compound", "Organooxygen compound", "Oxacycle", "Oxane", "Phenol", "Phenol ether", "Phenolic glycoside", "Phenoxy compound", "Polyol", "Pyran", "Secondary alcohol", "Styrene"]
Spectra from Phytohub
Food Sources
No food source information available
Food Sources of its Food Phytochemical(s)
Role as Biomarker of intake
No roles as Biomarker of intake found