precursor

Showing entry for Pinocarvone

Identification

PhytoHub ID
PHUB002707
Name
Pinocarvone
Systematic Name
Not Available
Synonyms
Not Available
CAS Number
30460-92-5
Average Mass
150.221
Monoisotopic Mass
150.104465071
Chemical Formula
C10H14O
IUPAC Name
6,6-dimethyl-2-methylidenebicyclo[3.1.1]heptan-3-one
InChI Key
TZDMGBLPGZXHJI-UHFFFAOYNA-N
InChI Identifier
InChI=1/C10H14O/c1-6-8-4-7(5-9(6)11)10(8,2)3/h7-8H,1,4-5H2,2-3H3
SMILES
CC1(C)C2CC1C(=C)C(=O)C2
Structure
Similar Structures

Calculated Properties

Solubility (ALOGPS)
6.16e-01 g/l
LogS (ALOGPS)
-2.39
LogP (ALOGPS)
2.28
Hydrogen Acceptors
1
Hydrogen Donors
0
Rotatable Bond Count
0
Polar Surface Area
17.07
Refractivity
44.342999999999996
Polarizability
17.25553305985391
Formal Charge
0
Physiological Charge
0
pKa (strongest basic)
-4.991396238530265
pKa (strongest acidic)
Not Available
Number of Rings
2
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 Online Resources

No spectra information available

Spectra from Phytohub

Spectrum TypeDescriptionSplash KeyDeposition DateView

Food Sources

NameGroup
Roman camomileHerbs and Spices 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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