dihydroavenanthramide 2p
Showing entry for dihydroavenanthramide 2p
Identification
- PhytoHub ID
- PHUB002890
- Name
- dihydroavenanthramide 2p
- Systematic Name
- Not Available
- Synonyms
- Dihydroavenanthramide D; Hydroxyphenyl propamidobenzoic acid
- CAS Number
- 697235-49-7
- Average Mass
- 285.299
- Monoisotopic Mass
- 285.100107967
- Chemical Formula
- C16H15NO4
- IUPAC Name
- Not Available
- InChI Key
- DLFOKZQWYFNKCL-UHFFFAOYSA-N
- InChI Identifier
InChI=1S/C16H15NO4/c18-12-8-5-11(6-9-12)7-10-15(19)17-14-4-2-1-3-13(14)16(20)21/h1-6,8-9,18H,7,10H2,(H,17,19)(H,20,21)
- SMILES
[H]N(C(=O)CCC1=CC=C(O)C=C1)C1=CC=CC=C1C(O)=O
- Structure
Structure for dihydroavenanthramide 2p
Calculated Properties
- Solubility (ALOGPS)
- Not Available
- LogS (ALOGPS)
- Not Available
- LogP (ALOGPS)
- Not Available
- Hydrogen Acceptors
- Not Available
- Hydrogen Donors
- Not Available
- Rotatable Bond Count
- Not Available
- Polar Surface Area
- Not Available
- Refractivity
- Not Available
- Polarizability
- Not Available
- Formal Charge
- Not Available
- Physiological Charge
- Not Available
- pKa (strongest basic)
- Not Available
- pKa (strongest acidic)
- Not Available
- Number of Rings
- Not Available
- Rule of Five
- No
- Bioavailability
- No
- Ghose Filter
- No
- Veber's Rule
- No
- MDDR-like Rule
- No
External Links
No external links
Taxonomy as Metabolite
- Family
- N-containing compound metabolites
- Class
- Alkaloid metabolites
- Sub-class
- Aventhramides
Taxonomy of its Food Phytochemical Precursor(s)
| Food Phytochemical | Family | Class | Sub-class | |
|---|---|---|---|---|
| Avenanthramide 2p | N-containing compounds | Alkaloids | Miscellaneous alkaloids | Show Food Phytochemical |
Spectra from Phytohub
| Spectrum Type | Instrument Type | Ion Mode | Collision Energy Level | View | Peaks | |
|---|---|---|---|---|---|---|
Food Sources
No food source information available
Food Sources of its Food Phytochemical(s)
No food source information available of its precursor(s)
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 | ||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Avenanthramide 2p | dihydroavenanthramide 2p | human | urine | gut microbiota metabolite | Not Available | Not Available | <1% | C16H15NO4 | 285.100107967 | Publications |
Inter-Individual Variations in Metabolism
| Food Phytochemical | Metabolite | Effect | Value |
|---|