Hordenine
precursor
Showing entry for Hordenine
Identification
- PhytoHub ID
- PHUB000778
- Name
- Hordenine
- Systematic Name
- Not Available
- Synonyms
- 4-(2-Dimethylamino)ethylphenol
- N,N-Dimethyltyramine
- CAS Number
- Not Available
- Average Mass
- 165.236
- Monoisotopic Mass
- 165.115364107
- Chemical Formula
- C10H15NO
- IUPAC Name
- 4-[2-(dimethylamino)ethyl]phenol
- InChI Key
- KUBCEEMXQZUPDQ-UHFFFAOYSA-N
- InChI Identifier
InChI=1S/C10H15NO/c1-11(2)8-7-9-3-5-10(12)6-4-9/h3-6,12H,7-8H2,1-2H3
- SMILES
CN(C)CCC1=CC=C(O)C=C1
- Structure
Structure for Hordenine
Calculated Properties
- Solubility (ALOGPS)
- 2.97e+01 g/l
- LogS (ALOGPS)
- -0.75
- LogP (ALOGPS)
- 1.76
- Hydrogen Acceptors
- 2
- Hydrogen Donors
- 1
- Rotatable Bond Count
- 3
- Polar Surface Area
- 23.47
- Refractivity
- 51.336600000000004
- Polarizability
- 19.353187585007067
- Formal Charge
- 0
- Physiological Charge
- 1
- pKa (strongest basic)
- 9.187739518335258
- pKa (strongest acidic)
- 10.308363804255436
- Number of Rings
- 1
- Rule of Five
- Yes
- Bioavailability
- Yes
- Ghose Filter
- Yes
- Veber's Rule
- Yes
- MDDR-like Rule
- No
Taxonomy as Food Phytochemical
- Family
- N-containing compounds
- Class
- Amines
- Sub-class
- Not Available
Classyfire Taxonomy
- Kingdom Name
- Organic compounds
- Class
- Benzene and substituted derivatives
- Super-class
- Benzenoids
- Sub-class
- Phenethylamines
- Direct Parent Name
- Phenethylamines
- Alternative Parent Names
- ["1-hydroxy-2-unsubstituted benzenoids", "Aralkylamines", "Hydrocarbon derivatives", "Organooxygen compounds", "Organopnictogen compounds", "Trialkylamines"]
- External Descriptor Annotations
- ["Tyramine derivatives", "phenethylamine alkaloid"]
- Substituent Names
- ["1-hydroxy-2-unsubstituted benzenoid", "Amine", "Aralkylamine", "Aromatic homomonocyclic compound", "Hydrocarbon derivative", "Organic nitrogen compound", "Organic oxygen compound", "Organonitrogen compound", "Organooxygen compound", "Organopnictogen compound", "Phenethylamine", "Phenol", "Tertiary aliphatic amine", "Tertiary amine"]
Spectra from Online Resources
| Record ID | Source | Description | View |
|---|---|---|---|
| WA002704 | MassBank | LC-ESI-Q Spectrum - -, unspecified | View Spectra |
| WA002705 | MassBank | LC-ESI-Q Spectrum - -, unspecified | View Spectra |
| WA002706 | MassBank | LC-ESI-Q Spectrum - -, unspecified | View Spectra |
| WA002707 | MassBank | LC-ESI-Q Spectrum - -, unspecified | View Spectra |
| WA002708 | MassBank | LC-ESI-Q Spectrum - -, unspecified | View Spectra |
Food Sources
No food source information available
Role as Biomarker of intake
No roles as Biomarker of intake found
Metabolism
No metabolism information available
Inter-Individual Variations in Metabolism
No data on inter-individual variations available