Identification

PhytoHub ID
PHUB000136
Name
Lubimin
Systematic Name
Not Available
Synonyms
Not Available
CAS Number
Not Available
Average Mass
236.355
Monoisotopic Mass
236.177630013
Chemical Formula
C15H24O2
IUPAC Name
lubimin
InChI Key
CEVNHRPKRNTGKO-MNBPDBLXNA-N
InChI Identifier
InChI=1/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+/s2
SMILES
C[[email protected]@H]1C[[email protected]](O)C[[email protected]](C=O)[[email protected]]11CC[[email protected]](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
27.615372593083244
Formal Charge
0
Physiological Charge
0
pKa (strongest basic)
-2.699829526325887
pKa (strongest acidic)
15.224898869195531
Number of Rings
2
Rule of Five
Yes
Bioavailability
Yes
Ghose Filter
Yes
Veber's Rule
Yes
MDDR-like Rule
No

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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