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
Similar Structures

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 Phytohub

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

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