Maclurin
precursor
Showing entry for Maclurin
Identification
- PhytoHub ID
- PHUB002545
- Name
- Maclurin
- Systematic Name
- Not Available
- Synonyms
- (3,4-Dihydroxyphenyl)(2,4,6-trihydroxyphenyl)methanone,
- 2,3',4,4',6-Pentahydroxybenzophenone
- Laguncurin
- Moringerbic acid
- CAS Number
- 519-34-6
- Average Mass
- 262.217
- Monoisotopic Mass
- 262.047738042
- Chemical Formula
- C13H10O6
- IUPAC Name
- Not Available
- InChI Key
- XNWPXDGRBWJIES-UHFFFAOYSA-N
- InChI Identifier
InChI=1S/C13H10O6/c14-7-4-10(17)12(11(18)5-7)13(19)6-1-2-8(15)9(16)3-6/h1-5,14-18H
- SMILES
Oc1cc(O)c(C(=O)c2ccc(O)c(O)c2)c(O)c1
- Structure
Structure for Maclurin
Calculated Properties
- Solubility (ALOGPS)
- 3.82e-01 g/l
- LogS (ALOGPS)
- -2.84
- LogP (ALOGPS)
- 1.69
- Hydrogen Acceptors
- Not Available
- Hydrogen Donors
- Not Available
- Rotatable Bond Count
- Not Available
- Polar Surface Area
- Not Available
- Refractivity
- Not Available
- Polarizability
- Not Available
- Formal Charge
- Not Available
- Physiological Charge
- Not Available
- pKa (strongest basic)
- Not Available
- pKa (strongest acidic)
- Not Available
- 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
- 68213
- ChEBI
- 6624
- HMDB
- HMDB0032644
- FooDB (Compounds)
- FDB010593
- KNApSAcK
- C00003003
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", "Catechols", "Diphenylmethanes", "Hydrocarbon derivatives", "Organic oxides", "Phloroglucinols and derivatives", "Polyols", "Vinylogous acids"]
- External Descriptor Annotations
- ["benzophenones"]
- Substituent Names
- ["1-hydroxy-2-unsubstituted benzenoid", "1-hydroxy-4-unsubstituted benzenoid", "Aromatic homomonocyclic compound", "Aryl ketone", "Aryl-phenylketone", "Benzenetriol", "Benzophenone", "Benzoyl", "Catechol", "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