Dehydro-beta-carotene
PubChem CID: 10007318
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| Compound Synonyms | Dehydro-beta-carotene |
|---|---|
| Topological Polar Surface Area | 0.0 |
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 40.0 |
| Description | Dehydro-beta-carotene is a member of the class of compounds known as carotenes. Carotenes are a type of unsaturated hydrocarbons containing eight consecutive isoprene units. They are characterized by the presence of two end-groups (mostly cyclohexene rings, but also cyclopentene rings or acyclic groups) linked by a long branched alkyl chain. Carotenes belonging form a subgroup of the carotenoids family. Dehydro-beta-carotene can be found in date, which makes dehydro-beta-carotene a potential biomarker for the consumption of this food product. |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 1160.0 |
| Database Name | fooddb_chem_all;hmdb_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | (6Z)-1,5,5-trimethyl-6-[(2E,4E,6E,8E,10E,12E,14E,16E,18Z)-3,7,12,16-tetramethyl-18-(2,6,6-trimethylcyclohex-2-en-1-ylidene)octadeca-2,4,6,8,10,12,14,16-octaenylidene]cyclohexene |
| Nih Violation | True |
| Class | Prenol lipids |
| Xlogp | 13.3 |
| Superclass | Lipids and lipid-like molecules |
| Is Pains | False |
| Subclass | Tetraterpenoids |
| Molecular Formula | C40H54 |
| Inchi Key | RRMHVWZOQSOJEK-VDISQYCASA-N |
| Rotatable Bond Count | 9.0 |
| Synonyms | Dehydro-b-carotene, Dehydro-β-carotene |
| Compound Name | Dehydro-beta-carotene |
| Kingdom | Organic compounds |
| Exact Mass | 534.423 |
| Formal Charge | 0.0 |
| Brenk Violation | True |
| Monoisotopic Mass | 534.423 |
| Hydrogen Bond Acceptor Count | 0.0 |
| Molecular Weight | 534.9 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 10.0 |
| Molecular Framework | Aliphatic homomonocyclic compounds |
| Inchi | InChI=1S/C40H54/c1-31(19-13-21-33(3)25-27-37-35(5)23-15-29-39(37,7)8)17-11-12-18-32(2)20-14-22-34(4)26-28-38-36(6)24-16-30-40(38,9)10/h11-14,17-28H,15-16,29-30H2,1-10H3/b17-11+,18-12+,21-13+,22-14+,31-19+,32-20+,33-25+,34-26+,37-27+,38-28+ |
| Smiles | CC\1=CCCC(/C1=C/C=C(/C=C/C=C(/C=C/C=C/C(=C/C=C/C(=C/C=C\2/C(CCC=C2C)(C)C)/C)/C)\C)\C)(C)C |
| Defined Bond Stereocenter Count | 10.0 |
| Taxonomy Direct Parent | Carotenes |
- 1. Outgoing r'ship
FOUND_INto/from Phoenix Dactylifera (Plant) Rel Props:Source_db:fooddb_chem_all