Iriflophenone
precursor
Showing entry for Iriflophenone
Identification
- PhytoHub ID
- PHUB002546
- Name
- Iriflophenone
- Systematic Name
- Not Available
- Synonyms
- (4-hydroxyphenyl)-(2,4,6-trihydroxyphenyl)methanone
- 2,4,4',6-Tetrahydroxybenzophenone
- Iriflopheone
- CAS Number
- 52591-10-3
- Average Mass
- 246.218
- Monoisotopic Mass
- 246.052823422
- Chemical Formula
- C13H10O5
- IUPAC Name
- 2-(4-hydroxybenzoyl)benzene-1,3,5-triol
- InChI Key
- AOJWDTJDEGSHOA-UHFFFAOYSA-N
- InChI Identifier
InChI=1S/C13H10O5/c14-8-3-1-7(2-4-8)13(18)12-10(16)5-9(15)6-11(12)17/h1-6,14-17H
- SMILES
OC1=CC=C(C=C1)C(=O)C1=C(O)C=C(O)C=C1O
- Structure
Structure for Iriflophenone
Calculated Properties
- Solubility (ALOGPS)
- 3.20e-01 g/l
- LogS (ALOGPS)
- -2.89
- LogP (ALOGPS)
- 2.11
- Hydrogen Acceptors
- 5
- Hydrogen Donors
- 4
- Rotatable Bond Count
- 2
- Polar Surface Area
- 97.99000000000001
- Refractivity
- 64.5571
- Polarizability
- 23.58277824576804
- Formal Charge
- 0
- Physiological Charge
- -1
- pKa (strongest basic)
- -6.3307677401925835
- pKa (strongest acidic)
- 6.90738249995495
- Number of Rings
- 2
- Rule of Five
- Yes
- Bioavailability
- Yes
- Ghose Filter
- Yes
- Veber's Rule
- No
- MDDR-like Rule
- No
External Links
- PubChem
- 11311158
- HMDB
- HMDB0253583
- KNApSAcK
- C00042626
Taxonomy as Food Phytochemical
- Family
- Polyphenols
- Class
- Miscellaneous polyphenols
- Sub-class
- Not Available
Classyfire Taxonomy
- Kingdom Name
- Organic compounds
- Class
- Benzene and substituted derivatives
- Super-class
- Benzenoids
- Sub-class
- Benzophenones
- Direct Parent Name
- Benzophenones
- Alternative Parent Names
- ["1-hydroxy-2-unsubstituted benzenoids", "1-hydroxy-4-unsubstituted benzenoids", "Aryl-phenylketones", "Benzoyl derivatives", "Diphenylmethanes", "Hydrocarbon derivatives", "Organic oxides", "Phloroglucinols and derivatives", "Polyols", "Vinylogous acids"]
- External Descriptor Annotations
- Not Available
- Substituent Names
- ["1-hydroxy-2-unsubstituted benzenoid", "1-hydroxy-4-unsubstituted benzenoid", "Aromatic homomonocyclic compound", "Aryl ketone", "Aryl-phenylketone", "Benzenetriol", "Benzophenone", "Benzoyl", "Diphenylmethane", "Hydrocarbon derivative", "Ketone", "Organic oxide", "Organic oxygen compound", "Organooxygen compound", "Phenol", "Phloroglucinol derivative", "Polyol", "Vinylogous acid"]
Spectra from Online Resources
No spectra information available
Food Sources
| Name | Group | |||
|---|---|---|---|---|
| Mango | Fruit, Tropical fruits | Publications | Show |
Role as Biomarker of intake
No roles as Biomarker of intake found
Metabolism
No metabolism information available
Inter-Individual Variations in Metabolism
No data on inter-individual variations available