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
hispidulin
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

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

Taxonomy as Precursor

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

No spectra information available

Food Sources

Food Sources of its Precursor(s)

No food source information available of its precursor(s)

Metabolism

No metabolism information available

Inter-Individual Variations Metabolism

No inter-individual variations available

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