Apo-13-zeaxanthinone
PubChem CID: 44482347
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| Compound Synonyms | Apo-13-zeaxanthinone, SCHEMBL13668713 |
|---|---|
| Topological Polar Surface Area | 37.3 |
| Hydrogen Bond Donor Count | 1.0 |
| Inchi Key | JLNMEHQAHDSEEE-YSAUQHOWSA-N |
| Rotatable Bond Count | 4.0 |
| Heavy Atom Count | 20.0 |
| Compound Name | Apo-13-zeaxanthinone |
| Description | Apo-13-zeaxanthinone is a member of the class of compounds known as sesquiterpenoids. Sesquiterpenoids are terpenes with three consecutive isoprene units. Apo-13-zeaxanthinone is practically insoluble (in water) and an extremely weak acidic compound (based on its pKa). Apo-13-zeaxanthinone can be found in a number of food items such as red bell pepper, italian sweet red pepper, pepper (c. annuum), and orange bell pepper, which makes apo-13-zeaxanthinone a potential biomarker for the consumption of these food products. |
| Exact Mass | 274.193 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 274.193 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 488.0 |
| Hydrogen Bond Acceptor Count | 2.0 |
| Molecular Weight | 274.4 |
| Database Name | fooddb_chem_all;pubchem |
| Covalent Unit Count | 1.0 |
| Defined Atom Stereocenter Count | 1.0 |
| Iupac Name | (3E,5E,7E)-8-[(4R)-4-hydroxy-2,6,6-trimethylcyclohexen-1-yl]-6-methylocta-3,5,7-trien-2-one |
| Total Atom Stereocenter Count | 1.0 |
| Total Bond Stereocenter Count | 3.0 |
| Inchi | InChI=1S/C18H26O2/c1-13(7-6-8-15(3)19)9-10-17-14(2)11-16(20)12-18(17,4)5/h6-10,16,20H,11-12H2,1-5H3/b8-6+,10-9+,13-7+/t16-/m1/s1 |
| Smiles | CC1=C(C(C[C@@H](C1)O)(C)C)/C=C/C(=C/C=C/C(=O)C)/C |
| Xlogp | 3.5 |
| Defined Bond Stereocenter Count | 3.0 |
| Molecular Formula | C18H26O2 |
- 1. Outgoing r'ship
FOUND_INto/from Capsicum Annuum (Plant) Rel Props:Source_db:fooddb_chem_all