precursor

Showing entry for Santolinatriene

Identification

PhytoHub ID
PHUB000086
Name
Santolinatriene
Systematic Name
Not Available
Synonyms
Not Available
CAS Number
Not Available
Average Mass
136.238
Monoisotopic Mass
136.125200515
Chemical Formula
C10H16
IUPAC Name
3-ethenyl-2,5-dimethylhexa-1,4-diene
InChI Key
ZQGDEJAPCUGBRH-UHFFFAOYSA-N
InChI Identifier
InChI=1S/C10H16/c1-6-10(9(4)5)7-8(2)3/h6-7,10H,1,4H2,2-3,5H3
SMILES
CC(C)=CC(C=C)C(C)=C
Structure
Similar Structures

Calculated Properties

Solubility (ALOGPS)
9.81e-02 g/l
LogS (ALOGPS)
-3.14
LogP (ALOGPS)
3.76
Hydrogen Acceptors
0
Hydrogen Donors
0
Rotatable Bond Count
3
Polar Surface Area
0.0
Refractivity
48.326599999999985
Polarizability
17.48942262956611
Formal Charge
0
Physiological Charge
0
pKa (strongest basic)
Not Available
pKa (strongest acidic)
Not Available
Number of Rings
0
Rule of Five
Yes
Bioavailability
Yes
Ghose Filter
No
Veber's Rule
Yes
MDDR-like Rule
No

Taxonomy as Food Phytochemical

Family
Terpenoids
Class
Monoterpenoids
Sub-class
Not Available

Spectra from Phytohub

Spectrum TypeInstrument TypeIon ModeCollision Energy LevelViewPeaks

Food Sources

NameGroup
CheeseMilk and milk products 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

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