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 TypeTechnologyIon ModeCollision EnergyView

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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