Hispidulin
precursor
Showing entry for Hispidulin
Identification
- PhytoHub ID
- PHUB000886
- Name
- Hispidulin
- Systematic Name
- Not Available
- Synonyms
- 5,7,4'-Trihydroxy-6-methoxyflavone
- 6-Methoxyapigenin
- 6-Methylscutellarein
- CAS Number
- Not Available
- Average Mass
- 300.266
- Monoisotopic Mass
- 300.063388106
- Chemical Formula
- C16H12O6
- IUPAC Name
- 5,7-dihydroxy-2-(4-hydroxyphenyl)-6-methoxy-4H-chromen-4-one
- InChI Key
- IHFBPDAQLQOCBX-UHFFFAOYSA-N
- InChI Identifier
InChI=1S/C16H12O6/c1-21-16-11(19)7-13-14(15(16)20)10(18)6-12(22-13)8-2-4-9(17)5-3-8/h2-7,17,19-20H,1H3
- SMILES
COC1=C(O)C2=C(OC(=CC2=O)C2=CC=C(O)C=C2)C=C1O
- Structure
Structure for Hispidulin
Calculated Properties
- Solubility (ALOGPS)
- 7.91e-02 g/l
- LogS (ALOGPS)
- -3.58
- LogP (ALOGPS)
- 3.09
- Hydrogen Acceptors
- 6
- Hydrogen Donors
- 3
- Rotatable Bond Count
- 2
- Polar Surface Area
- 96.22000000000001
- Refractivity
- 79.37710000000001
- Polarizability
- 29.815836588100986
- Formal Charge
- 0
- Physiological Charge
- -1
- pKa (strongest basic)
- -4.811140617550587
- pKa (strongest acidic)
- 7.091060147517393
- Number of Rings
- 3
- Rule of Five
- Yes
- Bioavailability
- Yes
- Ghose Filter
- Yes
- Veber's Rule
- No
- MDDR-like Rule
- No
External Links
- ChEBI
- 75902
- PubChem
- 5281628
- Chemistry Dashboard
- DTXSID30162786
- KNApSAcK
- C00001050
- MetaboLights
- MTBLC75902
- Phenol-Explorer
- 268
- FooDB (Compounds)
- FDB001473
- PeakForestCompound
- 000681
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
- 6-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", "Benzene and substituted derivatives", "Chromones", "Flavones", "Heteroaromatic compounds", "Hydrocarbon derivatives", "Organic oxides", "Oxacyclic compounds", "Pyranones and derivatives", "Vinylogous acids"]
- External Descriptor Annotations
- ["Flavones and Flavonols", "flavones", "monomethoxyflavone", "trihydroxyflavone"]
- Substituent Names
- ["1-benzopyran", "1-hydroxy-2-unsubstituted benzenoid", "1-hydroxy-4-unsubstituted benzenoid", "4'-hydroxyflavonoid", "5-hydroxyflavonoid", "6-methoxyflavonoid-skeleton", "7-hydroxyflavonoid", "Alkyl aryl ether", "Anisole", "Aromatic heteropolycyclic compound", "Benzenoid", "Benzopyran", "Chromone", "Ether", "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 Online Resources
No spectra information available
Food Sources
| Name | Group | |||
|---|---|---|---|---|
| Common oregano | Herbs and Spices | Publications | Show | |
| Common sage | Herbs and Spices | Publications | Show | |
| Common thyme | Herbs and Spices | Publications | Show | |
| Mexican origano | Herbs and Spices | Publications | Show | |
| Rosemary | Herbs and Spices | Publications | Show |
Role as Biomarker of intake
No roles as Biomarker of intake found
Metabolism
| Food Phytochemical | Metabolite | Species | Biofluids | Origin | TMax | CMax | Urinary Excretion | Formula | Monoisotopic mass | ||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Hispidulin | Hispidulin | rat | plasma | unchanged | <1h | 50-200 nmol/L | No data | C16H12O6 | 300.063388106 | Publications | |||
| Homoplantaginin | Hispidulin | rat | plasma | host-gut microbiota co-metabolite | <1h | >20µmol/L | No data | C16H12O6 | 300.063388106 | Publications |
Inter-Individual Variations in Metabolism
| Food Phytochemical | Metabolite | Effect | Value |
|---|