precursor

Showing entry for Noradrenaline (L-)

Identification

PhytoHub ID
PHUB000779
Name
Noradrenaline (L-)
Systematic Name
Not Available
Synonyms
  • Norepinephrine (L-)
CAS Number
Not Available
Average Mass
169.18
Monoisotopic Mass
169.073893218
Chemical Formula
C8H11NO3
IUPAC Name
4-[(1R)-2-amino-1-hydroxyethyl]benzene-1,2-diol
InChI Key
SFLSHLFXELFNJZ-QMMMGPOBSA-N
InChI Identifier
InChI=1S/C8H11NO3/c9-4-8(12)5-1-2-6(10)7(11)3-5/h1-3,8,10-12H,4,9H2/t8-/m0/s1
SMILES
NC[C@H](O)C1=CC(O)=C(O)C=C1
Structure
Similar Structures

Calculated Properties

Solubility (ALOGPS)
1.25e+01 g/l
LogS (ALOGPS)
-1.13
LogP (ALOGPS)
-1.40
Hydrogen Acceptors
4
Hydrogen Donors
4
Rotatable Bond Count
2
Polar Surface Area
86.71000000000001
Refractivity
44.45570000000001
Polarizability
17.084208342314316
Formal Charge
0
Physiological Charge
1
pKa (strongest basic)
8.84847263942599
pKa (strongest acidic)
9.500884650011601
Number of Rings
1
Rule of Five
Yes
Bioavailability
Yes
Ghose Filter
No
Veber's Rule
No
MDDR-like Rule
No

Taxonomy as Food Phytochemical

Family
N-containing compounds
Class
Amines
Sub-class
Not Available

Spectra from Phytohub

Food Sources

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

Back