Identification

PhytoHub ID
PHUB000136
Name
Lubimin
Synonyms
Not Available
CAS Number
Not Available
Average Mass
236.355
Monoisotopic Mass
236.177630013
Chemical Formula
C15H24O2
IUPAC Name
lubimin
InChI Key
CEVNHRPKRNTGKO-ZSAUSMIDSA-N
InChI Identifier
InChI=1S/C15H24O2/c1-10(2)12-4-5-15(8-12)11(3)6-14(17)7-13(15)9-16/h9,11-14,17H,1,4-8H2,2-3H3/t11-,12-,13-,14+,15+/m1/s1
SMILES
C[C@@H]1C[C@H](O)C[C@H](C=O)[C@]11CC[C@H](C1)C(C)=C
Structure

Calculated Properties

Solubility (ALOGPS)
1.15e-01 g/l
LogS (ALOGPS)
-3.31
LogP (ALOGPS)
2.38
Hydrogen Acceptors
2
Hydrogen Donors
1
Rotatable Bond Count
2
Polar Surface Area
37.3
Refractivity
69.03779999999999
Polarizability
27.609483596117805
Formal Charge
0
Physiological Charge
0
pKa (strongest basic)
-2.699829526325887
pKa (strongest acidic)
15.224070888774332
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Taxonomy

Family
Terpenoids
Class
Sesquiterpenoids
Sub-class
Not Available

Spectra

Record IDSourceDescriptionView
JP005497MassBankEI-B Spectrum - -, [M]+*View Spectra

Food Sources

NameGroup
Damaged potatoVegetables, Tubers PublicationsShow

Metabolism

No metabolism information available

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