Identification

PhytoHub ID
PHUB001778
Name
Angolensin
Systematic Name
Not Available
Synonyms
Not Available
CAS Number
Not Available
Average Mass
272.3
Monoisotopic Mass
272.104858995
Chemical Formula
C16H16O4
IUPAC Name
1-(2,4-dihydroxyphenyl)-2-(4-methoxyphenyl)propan-1-one
InChI Key
CCOJFDRSZSSKOG-UHFFFAOYSA-N
InChI Identifier
InChI=1S/C16H16O4/c1-10(11-3-6-13(20-2)7-4-11)16(19)14-8-5-12(17)9-15(14)18/h3-10,17-18H,1-2H3
SMILES
COC1=CC=C(C=C1)C(C)C(=O)C1=C(O)C=C(O)C=C1
Structure

Calculated Properties

Solubility (ALOGPS)
3.54e-02 g/l
LogS (ALOGPS)
-3.89
LogP (ALOGPS)
3.49
Hydrogen Acceptors
4
Hydrogen Donors
2
Rotatable Bond Count
4
Polar Surface Area
66.76
Refractivity
76.1822
Polarizability
28.116136495034958
Formal Charge
0
Physiological Charge
0
pKa (strongest basic)
-4.824206145052337
pKa (strongest acidic)
7.841766529269605
Number of Rings
2
Rule of Five
Yes
Bioavailability
Yes
Ghose Filter
Yes
Veber's Rule
No
MDDR-like Rule
No

Taxonomy as Metabolite

Family
Polyphenols
Class
Flavonoids
Sub-class
Isoflavones

Taxonomy of its Food Phytochemical Precursor(s)

Food PhytochemicalFamilyClassSub-class
AngolensinPolyphenolsFlavonoidsIsoflavonesShow Food Phytochemical
FormononetinPolyphenolsFlavonoidsIsoflavonesShow Food Phytochemical

Spectra from Online Resources

No spectra information available

Food Sources

No food source information available

Food Sources of its Food Phytochemical(s)

Food PhytochemicalFood SourceFood Source Group
FormononetinChickpeaPulses and beansShow
FormononetinRed cloverPulses and beans PublicationsShow

Role as Biomarker of intake

No roles as Biomarker of intake found

Metabolism

Food PhytochemicalMetaboliteSpeciesBiofluidsOriginTMaxCMaxUrinary ExcretionFormulaMonoisotopic mass
Angolensin Angolensinhumanplasmaunchanged12h-24h50-200 nmol/LNot AvailableC16H16O4272.104858995 Publications
Formononetin Angolensinhumanurinegut microbiota metaboliteNot AvailableNot AvailableNot AvailableC16H16O4272.104858995 Publications

Inter-Individual Variations in Metabolism

Food PhytochemicalMetaboliteEffectValue
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