Angolensin
Showing entry for Angolensin
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
Structure for Angolensin
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
External Links
No external links
Taxonomy as Metabolite
- Family
- Polyphenols
- Class
- Flavonoids
- Sub-class
- Isoflavones
Taxonomy of its Food Phytochemical Precursor(s)
| Food Phytochemical | Family | Class | Sub-class | |
|---|---|---|---|---|
| Angolensin | Polyphenols | Flavonoids | Isoflavones | Show Food Phytochemical |
| Formononetin | Polyphenols | Flavonoids | Isoflavones | Show Food Phytochemical |
Spectra from Online Resources
No spectra information available
Spectra from Phytohub
|
Food Sources
No food source information available
Food Sources of its Food Phytochemical(s)
| Food Phytochemical | Food Source | Food Source Group | |||
|---|---|---|---|---|---|
| Formononetin | Chickpea | Pulses and beans | Show | ||
| Formononetin | Red clover | Pulses and beans | 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 | ||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Angolensin | Angolensin | human | plasma | unchanged | 12h-24h | 50-200 nmol/L | Not Available | C16H16O4 | 272.104858995 | Publications | |||
| Formononetin | Angolensin | human | urine | gut microbiota metabolite | Not Available | Not Available | Not Available | C16H16O4 | 272.104858995 | Publications |
Inter-Individual Variations in Metabolism
| Food Phytochemical | Metabolite | Effect | Value |
|---|