Tricin
precursor
Showing entry for Tricin
Identification
- PhytoHub ID
- PHUB000910
- Name
- Tricin
- Systematic Name
- Not Available
- Synonyms
- Tricetin 3',5'-dimethyl ether
- CAS Number
- Not Available
- Average Mass
- 330.292
- Monoisotopic Mass
- 330.073952791
- Chemical Formula
- C17H14O7
- IUPAC Name
- 5,7-dihydroxy-2-(4-hydroxy-3,5-dimethoxyphenyl)-4H-chromen-4-one
- InChI Key
- HRGUSFBJBOKSML-UHFFFAOYSA-N
- InChI Identifier
InChI=1S/C17H14O7/c1-22-14-3-8(4-15(23-2)17(14)21)12-7-11(20)16-10(19)5-9(18)6-13(16)24-12/h3-7,18-19,21H,1-2H3
- SMILES
COC1=CC(=CC(OC)=C1O)C1=CC(=O)C2=C(O)C=C(O)C=C2O1
- Structure
Structure for Tricin
Calculated Properties
- Solubility (ALOGPS)
- 5.96e-02 g/l
- LogS (ALOGPS)
- -3.74
- LogP (ALOGPS)
- 3.05
- Hydrogen Acceptors
- 7
- Hydrogen Donors
- 3
- Rotatable Bond Count
- 3
- Polar Surface Area
- 105.45000000000002
- Refractivity
- 85.8403
- Polarizability
- 32.7650438305156
- Formal Charge
- 0
- Physiological Charge
- -1
- pKa (strongest basic)
- -4.540443684853466
- pKa (strongest acidic)
- 6.5738458974424345
- Number of Rings
- 3
- Rule of Five
- Yes
- Bioavailability
- Yes
- Ghose Filter
- Yes
- Veber's Rule
- No
- MDDR-like Rule
- No
External Links
- ChEBI
- 59979
- PubChem
- 5281702
- Chemistry Dashboard
- DTXSID20199965
- KNApSAcK
- C00013329
- MetaboLights
- MTBLC59979
- Phenol-Explorer
- 817
- PeakForestCompound
- 000703
Taxonomy as Food Phytochemical
- Family
- Polyphenols
- Class
- Flavonoids
- Sub-class
- Flavones
Classyfire Taxonomy
- Kingdom Name
- Organic compounds
- Class
- Flavonoids
- Super-class
- Phenylpropanoids and polyketides
- Sub-class
- O-methylated flavonoids
- Direct Parent Name
- 3'-O-methylated flavonoids
- Alternative Parent Names
- ["1-hydroxy-2-unsubstituted benzenoids", "1-hydroxy-4-unsubstituted benzenoids", "4'-hydroxyflavonoids", "5-hydroxyflavonoids", "7-hydroxyflavonoids", "Alkyl aryl ethers", "Anisoles", "Chromones", "Dimethoxybenzenes", "Flavones", "Heteroaromatic compounds", "Hydrocarbon derivatives", "Methoxyphenols", "Organic oxides", "Oxacyclic compounds", "Phenoxy compounds", "Pyranones and derivatives", "Vinylogous acids"]
- External Descriptor Annotations
- ["Flavones and Flavonols", "dimethoxyflavone", "flavones", "trihydroxyflavone"]
- Substituent Names
- ["1-benzopyran", "1-hydroxy-2-unsubstituted benzenoid", "1-hydroxy-4-unsubstituted benzenoid", "3p-methoxyflavonoid-skeleton", "4'-hydroxyflavonoid", "5-hydroxyflavonoid", "7-hydroxyflavonoid", "Alkyl aryl ether", "Anisole", "Aromatic heteropolycyclic compound", "Benzenoid", "Benzopyran", "Chromone", "Dimethoxybenzene", "Ether", "Flavone", "Heteroaromatic compound", "Hydrocarbon derivative", "Hydroxyflavonoid", "M-dimethoxybenzene", "Methoxybenzene", "Methoxyphenol", "Monocyclic benzene moiety", "Organic oxide", "Organic oxygen compound", "Organoheterocyclic compound", "Organooxygen compound", "Oxacycle", "Phenol", "Phenol ether", "Phenoxy compound", "Pyran", "Pyranone", "Vinylogous acid"]
Spectra from Phytohub
Food Sources
No food source information available
Role as Biomarker of intake
No roles as Biomarker of intake found