Noradrenaline (L-)
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
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
External Links
- PubChem
- 439260
- ChEBI
- 18357
- Chemistry Dashboard
- DTXSID5023378
- MetaboLights
- MTBLC18357
- PeakForestCompound
- 000604
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