precursor

Showing entry for Cadinol

Identification

PhytoHub ID
PHUB000108
Name
Cadinol
Systematic Name
Not Available
Synonyms
Not Available
CAS Number
Not Available
Average Mass
222.372
Monoisotopic Mass
222.198365457
Chemical Formula
C15H26O
IUPAC Name
1,6-dimethyl-4-(propan-2-yl)-1,2,3,4,4a,7,8,8a-octahydronaphthalen-1-ol
InChI Key
LHYHMMRYTDARSZ-UHFFFAOYSA-N
InChI Identifier
InChI=1S/C15H26O/c1-10(2)12-7-8-15(4,16)14-6-5-11(3)9-13(12)14/h9-10,12-14,16H,5-8H2,1-4H3
SMILES
CC(C)C1CCC(C)(O)C2CCC(C)=CC12
Structure
Similar Structures

Calculated Properties

Solubility (ALOGPS)
5.57e-02 g/l
LogS (ALOGPS)
-3.60
LogP (ALOGPS)
3.52
Hydrogen Acceptors
1
Hydrogen Donors
1
Rotatable Bond Count
1
Polar Surface Area
20.23
Refractivity
69.4305
Polarizability
27.522697885250373
Formal Charge
0
Physiological Charge
0
pKa (strongest basic)
-0.5880059181230378
pKa (strongest acidic)
Not Available
Number of Rings
2
Rule of Five
Yes
Bioavailability
Yes
Ghose Filter
Yes
Veber's Rule
Yes
MDDR-like Rule
No

Taxonomy as Food Phytochemical

Family
Terpenoids
Class
Sesquiterpenoids
Sub-class
Not Available

Spectra from Online Resources

Record IDSourceDescriptionView
JP008387MassBankEI-B Spectrum - -, [M]+*View Spectra
JP010682MassBankEI-B Spectrum - -, [M]+*View Spectra
JP010694MassBankEI-B Spectrum - -, [M]+*View Spectra

Spectra from Phytohub

Spectrum TypeDescriptionSplash KeyDeposition DateView

Food Sources

NameGroup
GrapeFruit, Berries 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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