precursor

Showing entry for Dihydrozeatin

Identification

PhytoHub ID
PHUB000795
Name
Dihydrozeatin
Systematic Name
Not Available
Synonyms
Not Available
CAS Number
Not Available
Average Mass
221.264
Monoisotopic Mass
221.127660123
Chemical Formula
C10H15N5O
IUPAC Name
(2R)-2-methyl-4-[(9H-purin-6-yl)amino]butan-1-ol
InChI Key
XXFACTAYGKKOQB-SSDOTTSWSA-N
InChI Identifier
InChI=1S/C10H15N5O/c1-7(4-16)2-3-11-9-8-10(13-5-12-8)15-6-14-9/h5-7,16H,2-4H2,1H3,(H2,11,12,13,14,15)/t7-/m1/s1
SMILES
C[C@@H](CO)CCNC1=NC=NC2=C1N=CN2
Structure
Similar Structures

Calculated Properties

Solubility (ALOGPS)
1.91e-01 g/l
LogS (ALOGPS)
-3.06
LogP (ALOGPS)
0.87
Hydrogen Acceptors
5
Hydrogen Donors
3
Rotatable Bond Count
5
Polar Surface Area
86.72
Refractivity
62.366600000000005
Polarizability
23.566260444919735
Formal Charge
0
Physiological Charge
0
pKa (strongest basic)
4.074040384480687
pKa (strongest acidic)
9.869745628243596
Number of Rings
2
Rule of Five
Yes
Bioavailability
Yes
Ghose Filter
Yes
Veber's Rule
No
MDDR-like Rule
No

Taxonomy as Food Phytochemical

Family
N-containing compounds
Class
Miscellaneous N-containing compounds
Sub-class
Purines and pyrimidines

Spectra from Online Resources

Record IDSourceDescriptionView
PS067701ReSpectN/A Spectrum - 10, [M+H]+View Spectra
PS067702ReSpectN/A Spectrum - 20, [M+H]+View Spectra
PS067703ReSpectN/A Spectrum - 30, [M+H]+View Spectra
PS067704ReSpectN/A Spectrum - 40, [M+H]+View Spectra

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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