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 Online Resources

Record IDSourceDescriptionView
JP001410MassBankEI-B Spectrum - -, [M]+*View Spectra
KO003612MassBankLC-ESI-QQ Spectrum - 10 V, unspecifiedView Spectra
KO003613MassBankLC-ESI-QQ Spectrum - 20 V, unspecifiedView Spectra
KO003614MassBankLC-ESI-QQ Spectrum - 30 V, unspecifiedView Spectra
KO003615MassBankLC-ESI-QQ Spectrum - 40 V, unspecifiedView Spectra
KO003616MassBankLC-ESI-QQ Spectrum - 50 V, unspecifiedView Spectra

Spectra from Phytohub

Spectrum TypeDescriptionSplash KeyDeposition DateView

Food Sources

NameGroup
BananaFruit, Tropical fruits PublicationsShow

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