precursor

Showing entry for Terpineol-alpha

Identification

PhytoHub ID
PHUB000090
Name
Terpineol-alpha
Systematic Name
Not Available
Synonyms
Not Available
CAS Number
Not Available
Average Mass
154.253
Monoisotopic Mass
154.1357652
Chemical Formula
C10H18O
IUPAC Name
2-[(1R)-4-methylcyclohex-3-en-1-yl]propan-2-ol
InChI Key
WUOACPNHFRMFPN-VIFPVBQESA-N
InChI Identifier
InChI=1S/C10H18O/c1-8-4-6-9(7-5-8)10(2,3)11/h4,9,11H,5-7H2,1-3H3/t9-/m0/s1
SMILES
CC1=CC[C@@H](CC1)C(C)(C)O
Structure
Similar Structures

Calculated Properties

Solubility (ALOGPS)
1.56e+00 g/l
LogS (ALOGPS)
-2.00
LogP (ALOGPS)
3.17
Hydrogen Acceptors
1
Hydrogen Donors
1
Rotatable Bond Count
1
Polar Surface Area
20.23
Refractivity
48.46189999999999
Polarizability
18.74433003204915
Formal Charge
0
Physiological Charge
0
pKa (strongest basic)
-0.8732484271496527
pKa (strongest acidic)
19.402266970394027
Number of Rings
1
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
GrapeFruit, Berries PublicationsShow
Grape wineBeverages, Alcoholic PublicationsShow
Mandarin orange (Clementine, Tangerine)Fruit, Citrus PublicationsShow
Orange juiceBeverages, Non-alcoholic PublicationsShow
PeachFruit, Drupes 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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