Lubimin
precursor
Showing entry for Lubimin
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
- (2R,5S,6S,8S,10R)-8-hydroxy-10-methyl-2-(prop-1-en-2-yl)spiro[4.5]decane-6-carbaldehyde
- 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
Structure for Lubimin
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
External Links
- ChEBI
- 27774
- PubChem
- 442383
- MetaboLights
- MTBLC27774
- PeakForestCompound
- 000128
Taxonomy as Food Phytochemical
- Family
- Terpenoids
- Class
- Sesquiterpenoids
- Sub-class
- Not Available
Spectra from Online Resources
| Record ID | Source | Description | View |
|---|---|---|---|
| JP005497 | MassBank | EI-B Spectrum - -, [M]+* | View Spectra |
Food Sources
| Name | Group | |||
|---|---|---|---|---|
| Damaged potato | Vegetables, Tubers | Publications | Show |
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