Dihydrocapsenone
PubChem CID: 157010074
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| Compound Synonyms | Dihydrocapsenone |
|---|---|
| Topological Polar Surface Area | 37.3 |
| Hydrogen Bond Donor Count | 1.0 |
| Inchi Key | SNEXDCBPEIQRSH-UHFFFAOYSA-N |
| Rotatable Bond Count | 1.0 |
| Synonyms | [3R-(3alpha,4alpha,4abeta,6beta,8abeta)]-Octahydro-3-hydroxy-4,4a-dimethyl-6-(1-methylethenyl)-1(2H)-naphthalenone, 1,3-Dithietane,2,2,4,4-tetrachloro-, 2,2,4,4-Tetrachloro-1,3-dithiacyclobutane, 2,2,4,4-tetrachloro-1,3-dithietane, 3-Hydroxy-11-eremophilen-1-one, Dihydrocapsenone, Dithiophosgene |
| Heavy Atom Count | 17.0 |
| Compound Name | Dihydrocapsenone |
| Description | Dihydrocapsenone is a member of the class of compounds known as eremophilane, 8,9-secoeremophilane and furoeremophilane sesquiterpenoids. Eremophilane, 8,9-secoeremophilane and furoeremophilane sesquiterpenoids are sesquiterpenoids with a structure based either on the eremophilane skeleton, its 8,9-seco derivative, or the furoeremophilane skeleton. Eremophilanes have been shown to be derived from eudesmanes by migration of the methyl group at C-10 to C-5. Dihydrocapsenone is practically insoluble (in water) and a very weakly acidic compound (based on its pKa). Dihydrocapsenone can be found in a number of food items such as italian sweet red pepper, red bell pepper, orange bell pepper, and pepper (c. annuum), which makes dihydrocapsenone a potential biomarker for the consumption of these food products. |
| Exact Mass | 236.178 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 236.178 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 347.0 |
| Hydrogen Bond Acceptor Count | 2.0 |
| Molecular Weight | 236.35 |
| Database Name | fooddb_chem_all;pubchem |
| Covalent Unit Count | 1.0 |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 3-hydroxy-4,4a-dimethyl-6-prop-1-en-2-yl-2,3,4,5,6,7,8,8a-octahydronaphthalen-1-one |
| Total Atom Stereocenter Count | 5.0 |
| Total Bond Stereocenter Count | 0.0 |
| Inchi | InChI=1S/C15H24O2/c1-9(2)11-5-6-12-14(17)7-13(16)10(3)15(12,4)8-11/h10-13,16H,1,5-8H2,2-4H3 |
| Smiles | CC1C(CC(=O)C2C1(CC(CC2)C(=C)C)C)O |
| Xlogp | 3.3 |
| Defined Bond Stereocenter Count | 0.0 |
| Molecular Formula | C15H24O2 |
- 1. Outgoing r'ship
FOUND_INto/from Capsicum Annuum (Plant) Rel Props:Source_db:fooddb_chem_all