Capsidiol
precursor
Showing entry for Capsidiol
Identification
- PhytoHub ID
- PHUB000110
- Name
- Capsidiol
- Systematic Name
- Not Available
- Synonyms
- (1R,3R,4S,4aR,6R)-4,4a-dimethyl-6-(prop-1-en-2-yl)-1,2,3,4,4a,5,6,7-octahydronaphthalene-1,3-diol1be
- CAS Number
- Not Available
- Average Mass
- 236.355
- Monoisotopic Mass
- 236.177630013
- Chemical Formula
- C15H24O2
- IUPAC Name
- (1R,3R,4S,4aR,6R)-4,4a-dimethyl-6-(prop-1-en-2-yl)-1,2,3,4,4a,5,6,7-octahydronaphthalene-1,3-diol
- InChI Key
- BXXSHQYDJWZXPB-OKNSCYNVSA-N
- InChI Identifier
InChI=1S/C15H24O2/c1-9(2)11-5-6-12-14(17)7-13(16)10(3)15(12,4)8-11/h6,10-11,13-14,16-17H,1,5,7-8H2,2-4H3/t10-,11-,13-,14-,15-/m1/s1
- SMILES
C[C@@H]1[C@H](O)C[C@@H](O)C2=CC[C@H](C[C@]12C)C(C)=C
- Structure
Structure for Capsidiol
Calculated Properties
- Solubility (ALOGPS)
- 8.47e-01 g/l
- LogS (ALOGPS)
- -2.45
- LogP (ALOGPS)
- 2.70
- Hydrogen Acceptors
- 2
- Hydrogen Donors
- 2
- Rotatable Bond Count
- 1
- Polar Surface Area
- 40.46
- Refractivity
- 70.51679999999999
- Polarizability
- 27.467877962109306
- Formal Charge
- 0
- Physiological Charge
- 0
- pKa (strongest basic)
- -2.870269296051214
- pKa (strongest acidic)
- 14.349248791835814
- Number of Rings
- 2
- Rule of Five
- Yes
- Bioavailability
- Yes
- Ghose Filter
- Yes
- Veber's Rule
- No
- MDDR-like Rule
- No
External Links
- ChEBI
- 28283
- PubChem
- 161937
- Chemistry Dashboard
- DTXSID50190703
- MetaboLights
- MTBLC28283
- PeakForestCompound
- 000102
Taxonomy as Food Phytochemical
- Family
- Terpenoids
- Class
- Sesquiterpenoids
- Sub-class
- Not Available
Classyfire Taxonomy
- Kingdom Name
- Organic compounds
- Class
- Prenol lipids
- Super-class
- Lipids and lipid-like molecules
- Sub-class
- Sesquiterpenoids
- Direct Parent Name
- Eremophilane, 8,9-secoeremophilane and furoeremophilane sesquiterpenoids
- Alternative Parent Names
- ["Cyclic alcohols and derivatives", "Hydrocarbon derivatives", "Secondary alcohols"]
- External Descriptor Annotations
- ["Eremophilane sesquiterpenoids", "Germacrenes", "eremophilane sesquiterpenoid"]
- Substituent Names
- ["Alcohol", "Aliphatic homopolycyclic compound", "Cyclic alcohol", "Eremophilane sesquiterpenoid", "Hydrocarbon derivative", "Organic oxygen compound", "Organooxygen compound", "Secondary alcohol"]
Spectra from Online Resources
| Record ID | Source | Description | View |
|---|---|---|---|
| JP005497 | MassBank | EI-B Spectrum - -, [M]+* | View Spectra |
Food Sources
| Name | Group | |||
|---|---|---|---|---|
| Bell pepper (Capsicum annuum, mild varieties) | Vegetables, Fruit vegetables | 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