metabolite

Showing entry for 3-endo-Hydroxycamphor

Identification

PhytoHub ID
PHUB001781
Name
3-endo-Hydroxycamphor
Systematic Name
Not Available
Synonyms
Not Available
CAS Number
Not Available
Average Mass
168.236
Monoisotopic Mass
168.115029755
Chemical Formula
C10H16O2
IUPAC Name
3-hydroxy-1,7,7-trimethylbicyclo[2.2.1]heptan-2-one
InChI Key
AXMKZEOEXSKFJI-UHFFFAOYSA-N
InChI Identifier
InChI=1S/C10H16O2/c1-9(2)6-4-5-10(9,3)8(12)7(6)11/h6-7,11H,4-5H2,1-3H3
SMILES
CC1(C)C2CCC1(C)C(=O)C2O
Structure
Similar Structures

Calculated Properties

Solubility (ALOGPS)
7.27e+00 g/l
LogS (ALOGPS)
-1.36
LogP (ALOGPS)
1.60
Hydrogen Acceptors
2
Hydrogen Donors
1
Rotatable Bond Count
0
Polar Surface Area
37.3
Refractivity
45.9072
Polarizability
18.615418123168894
Formal Charge
0
Physiological Charge
0
pKa (strongest basic)
-3.6162359121404637
pKa (strongest acidic)
13.131147891768489
Number of Rings
2
Rule of Five
Yes
Bioavailability
Yes
Ghose Filter
Yes
Veber's Rule
Yes
MDDR-like Rule
No

Taxonomy as Metabolite

Family
Terpenoid metabolites
Class
Monoterpenoid metabolites
Sub-class
Not Available

Spectra from Phytohub

Spectrum TypeInstrument TypeIon ModeCollision Energy LevelViewPeaks

Food Sources

No food source information available

Food Sources of its Food Phytochemical(s)

No food source information available of its precursor(s)

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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