Identification

PhytoHub ID
PHUB000142
Name
Patchoulen-beta
Systematic Name
Not Available
Synonyms
Not Available
CAS Number
Not Available
Average Mass
190.33
Monoisotopic Mass
190.172150708
Chemical Formula
C14H22
IUPAC Name
5,11,11-trimethyltricyclo[6.2.1.0^{2,6}]undec-2(6)-ene
InChI Key
ZPKGZYDIXRIBAI-UHFFFAOYNA-N
InChI Identifier
InChI=1/C14H22/c1-9-4-6-11-12(9)8-10-5-7-13(11)14(10,2)3/h9-10,13H,4-8H2,1-3H3
SMILES
CC1CCC2=C1CC1CCC2C1(C)C
Structure

Calculated Properties

Solubility (ALOGPS)
3.06e-02 g/l
LogS (ALOGPS)
-3.79
LogP (ALOGPS)
4.84
Hydrogen Acceptors
0
Hydrogen Donors
0
Rotatable Bond Count
0
Polar Surface Area
0.0
Refractivity
60.95269999999999
Polarizability
23.90470478186423
Formal Charge
0
Physiological Charge
0
pKa (strongest basic)
Not Available
pKa (strongest acidic)
Not Available
Number of Rings
3
Rule of Five
Yes
Bioavailability
Yes
Ghose Filter
Yes
Veber's Rule
Yes
MDDR-like Rule
No

Taxonomy as Precursor

Family
Terpenoids
Class
Sesquiterpenoids
Sub-class
Not Available

Spectra

No spectra information available

Food Sources

NameGroup
CheeseMilk and milk products PublicationsShow

Food Sources of its Precursor(s)

No food source information available of its precursor(s)

Metabolism

No metabolism information available

Inter-Individual Variations Metabolism

No inter-individual variations available

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