Apigenin
precursor
Showing entry for Apigenin
Identification
- PhytoHub ID
- PHUB000861
- Name
- Apigenin
- Systematic Name
- Not Available
- Synonyms
- 5,7-dihydroxy-2-(4-hydroxyphenyl)-4H-1-benzopyran-4-one
- 5,7,4'-Trihydroxyflavone
- chamomile
- versulin
- CAS Number
- 520-36-5
- Average Mass
- 270.24
- Monoisotopic Mass
- 270.052823422
- Chemical Formula
- C15H10O5
- IUPAC Name
- 5,7-dihydroxy-2-(4-hydroxyphenyl)-4H-chromen-4-one
- InChI Key
- KZNIFHPLKGYRTM-UHFFFAOYSA-N
- InChI Identifier
InChI=1S/C15H10O5/c16-9-3-1-8(2-4-9)13-7-12(19)15-11(18)5-10(17)6-14(15)20-13/h1-7,16-18H
- SMILES
OC1=CC=C(C=C1)C1=CC(=O)C2=C(O)C=C(O)C=C2O1
- Structure
Structure for Apigenin
Calculated Properties
- Solubility (ALOGPS)
- 1.18e-01 g/l
- LogS (ALOGPS)
- -3.36
- LogP (ALOGPS)
- 3.07
- Hydrogen Acceptors
- 5
- Hydrogen Donors
- 3
- Rotatable Bond Count
- 1
- Polar Surface Area
- 86.99000000000001
- Refractivity
- 72.91390000000001
- Polarizability
- 26.7801790574094
- Formal Charge
- 0
- Physiological Charge
- -1
- pKa (strongest basic)
- -5.381179969028222
- pKa (strongest acidic)
- 6.574691761170129
- Number of Rings
- 3
- Rule of Five
- Yes
- Bioavailability
- Yes
- Ghose Filter
- Yes
- Veber's Rule
- No
- MDDR-like Rule
- No
External Links
- ChEBI
- 18388
- PubChem
- 5280443
- Chemistry Dashboard
- DTXSID6022391
- KNApSAcK
- C00003817
- MetaboLights
- MTBLC18388
- Phenol-Explorer
- 228
- FooDB (Compounds)
- FDB002798
- PeakForestCompound
- 000661
Taxonomy as Food Phytochemical
- Family
- Polyphenols
- Class
- Flavonoids
- Sub-class
- Flavones
Taxonomy as Metabolite
- Metabolite Family
- (Poly)phenol metabolites
- Metabolite Class
- Flavonoid metabolites
- Metabolite Sub-class
- Flavones (parent and host metabolites)
Taxonomy of its Food Phytochemical Precursor(s)
| Food Phytochemical | Family | Class | Sub-class | |
|---|---|---|---|---|
| Apigenin | Polyphenols | Flavonoids | Flavones | Show Food Phytochemical |
| Apigenin 7-O-glucoside | Polyphenols | Flavonoids | Flavones | Show Food Phytochemical |
| Apigenin 7-O-rutinoside | Polyphenols | Flavonoids | Flavones | Show Food Phytochemical |
Classyfire Taxonomy
- Kingdom Name
- Organic compounds
- Class
- Flavonoids
- Super-class
- Phenylpropanoids and polyketides
- Sub-class
- Flavones
- Direct Parent Name
- Flavones
- Alternative Parent Names
- ["1-hydroxy-2-unsubstituted benzenoids", "1-hydroxy-4-unsubstituted benzenoids", "4'-hydroxyflavonoids", "5-hydroxyflavonoids", "7-hydroxyflavonoids", "Benzene and substituted derivatives", "Chromones", "Heteroaromatic compounds", "Hydrocarbon derivatives", "Organic oxides", "Organooxygen compounds", "Oxacyclic compounds", "Pyranones and derivatives", "Vinylogous acids"]
- External Descriptor Annotations
- ["Flavones and Flavonols", "flavones", "trihydroxyflavone"]
- Substituent Names
- ["1-benzopyran", "1-hydroxy-2-unsubstituted benzenoid", "1-hydroxy-4-unsubstituted benzenoid", "4'-hydroxyflavonoid", "5-hydroxyflavonoid", "7-hydroxyflavonoid", "Aromatic heteropolycyclic compound", "Benzenoid", "Benzopyran", "Chromone", "Flavone", "Heteroaromatic compound", "Hydrocarbon derivative", "Hydroxyflavonoid", "Monocyclic benzene moiety", "Organic oxide", "Organic oxygen compound", "Organoheterocyclic compound", "Organooxygen compound", "Oxacycle", "Phenol", "Pyran", "Pyranone", "Vinylogous acid"]
Spectra from Phytohub
Food Sources
Food Sources of its Food Phytochemical(s)
Role as Biomarker of intake
No roles as Biomarker of intake found