Identification

PhytoHub ID
PHUB000931
Name
14-hydroxyisolongifoldaldehyde
Systematic Name
Not Available
Synonyms
  • (2S, 7S)-14-hydroxyisolongifoldaldehyde
CAS Number
Not Available
Average Mass
236.355
Monoisotopic Mass
236.177630013
Chemical Formula
C15H24O2
IUPAC Name
3-(hydroxymethyl)-3,7-dimethyltricyclo[5.4.0.0^{2,9}]undecane-8-carbaldehyde
InChI Key
LKZRUFUJHRFLEY-UHFFFAOYSA-N
InChI Identifier
InChI=1S/C15H24O2/c1-14(9-17)6-3-7-15(2)11-5-4-10(13(11)14)12(15)8-16/h8,10-13,17H,3-7,9H2,1-2H3
SMILES
CC12CCCC(C)(CO)C3C(CCC13)C2C=O
Structure

Calculated Properties

Solubility (ALOGPS)
6.44e-02 g/l
LogS (ALOGPS)
-3.57
LogP (ALOGPS)
2.25
Hydrogen Acceptors
2
Hydrogen Donors
1
Rotatable Bond Count
2
Polar Surface Area
37.3
Refractivity
67.38499999999999
Polarizability
27.06566959172094
Formal Charge
0
Physiological Charge
0
pKa (strongest basic)
-1.1837533092353658
pKa (strongest acidic)
18.375088419004076
Number of Rings
3
Rule of Five
Yes
Bioavailability
Yes
Ghose Filter
Yes
Veber's Rule
Yes
MDDR-like Rule
No

Precursor Taxonomy

PrecursorFamilyClassSub-class
LongifoleneTerpenoidsSesquiterpenoidsNot AvailableShow Precursor

Spectra

No spectra information available

Food Sources

PrecursorFood SourceFood Source Group
LongifoleneCheeseMilk and milk products PublicationsShow

Metabolism

PrecursorMetaboliteSpeciesBiofluidsOriginFormulaMonoisotopic mass
Longifolene 14-hydroxyisolongifoldaldehyderabbiturine (major)Not AvailableC15H24O2236.177630013 Publications
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