precursor

Showing entry for Spermine

Identification

PhytoHub ID
PHUB000785
Name
Spermine
Systematic Name
Not Available
Synonyms
  • Gerontine
  • Musculamine
  • Neuridine
CAS Number
Not Available
Average Mass
202.346
Monoisotopic Mass
202.215746853
Chemical Formula
C10H26N4
IUPAC Name
(3-aminopropyl)({4-[(3-aminopropyl)amino]butyl})amine
InChI Key
PFNFFQXMRSDOHW-UHFFFAOYSA-N
InChI Identifier
InChI=1S/C10H26N4/c11-5-3-9-13-7-1-2-8-14-10-4-6-12/h13-14H,1-12H2
SMILES
NCCCNCCCCNCCCN
Structure
Similar Structures

Calculated Properties

Solubility (ALOGPS)
2.19e+00 g/l
LogS (ALOGPS)
-1.97
LogP (ALOGPS)
-0.66
Hydrogen Acceptors
4
Hydrogen Donors
4
Rotatable Bond Count
11
Polar Surface Area
76.1
Refractivity
62.558200000000014
Polarizability
26.694691643339382
Formal Charge
0
Physiological Charge
4
pKa (strongest basic)
10.799251803165692
pKa (strongest acidic)
Not Available
Number of Rings
0
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

Classyfire Taxonomy

Kingdom Name
Organic compounds
Class
Organonitrogen compounds
Super-class
Organic nitrogen compounds
Sub-class
Amines
Direct Parent Name
Dialkylamines
Alternative Parent Names
["Hydrocarbon derivatives", "Monoalkylamines", "Organopnictogen compounds"]
External Descriptor Annotations
["polyazaalkane", "tetraamine"]
Substituent Names
["Aliphatic acyclic compound", "Hydrocarbon derivative", "Organopnictogen compound", "Primary aliphatic amine", "Primary amine", "Secondary aliphatic amine"]

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

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