2-[(1E,3Z,5E,9Z,11E,13E,15E,17Z,19Z)-3,7,12,16,20,24-hexamethylpentacosa-1,3,5,9,11,13,15,17,19,23-decaenyl]-1,3,3-trimethylcyclohexene
PubChem CID: 131751816
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| Topological Polar Surface Area | 0.0 |
|---|---|
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 40.0 |
| Description | Isolated from sweet corn (Zea mays) grains and Citrus subspecies beta-Zeacarotene is found in many foods, some of which are fats and oils, citrus, corn, and sweet orange. |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 1120.0 |
| Database Name | fooddb_chem_all;hmdb_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 2-[(1E,3Z,5E,9Z,11E,13E,15E,17Z,19Z)-3,7,12,16,20,24-hexamethylpentacosa-1,3,5,9,11,13,15,17,19,23-decaenyl]-1,3,3-trimethylcyclohexene |
| Nih Violation | True |
| Class | Prenol lipids |
| Xlogp | 14.2 |
| Superclass | Lipids and lipid-like molecules |
| Is Pains | False |
| Subclass | Tetraterpenoids |
| Molecular Formula | C40H58 |
| Inchi Key | IDTBULZJFGAQSB-PEUOJFINSA-N |
| Rotatable Bond Count | 14.0 |
| State | Solid |
| Synonyms | 7',8'-Dihydro-b,y-carotene, 7',8'-Dihydro-beta,psi-carotene, b-Zeacarotene, beta-Zeacarotene, Carotene X, Β-zeacarotene, 7',8'-dihydro-b,Y-carotene, 7',8'-dihydro-beta,Psi-carotene |
| Compound Name | 2-[(1E,3Z,5E,9Z,11E,13E,15E,17Z,19Z)-3,7,12,16,20,24-hexamethylpentacosa-1,3,5,9,11,13,15,17,19,23-decaenyl]-1,3,3-trimethylcyclohexene |
| Kingdom | Organic compounds |
| Exact Mass | 538.454 |
| Formal Charge | 0.0 |
| Brenk Violation | True |
| Monoisotopic Mass | 538.454 |
| Hydrogen Bond Acceptor Count | 0.0 |
| Molecular Weight | 538.9 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 1.0 |
| Total Bond Stereocenter Count | 9.0 |
| Molecular Framework | Aliphatic homomonocyclic compounds |
| Inchi | InChI=1S/C40H58/c1-32(2)18-13-21-35(5)24-15-26-36(6)25-14-22-33(3)19-11-12-20-34(4)23-16-27-37(7)29-30-39-38(8)28-17-31-40(39,9)10/h11-12,14-16,18-19,22-27,29-30,34H,13,17,20-21,28,31H2,1-10H3/b12-11-,22-14+,23-16+,26-15-,30-29+,33-19+,35-24-,36-25+,37-27- |
| Smiles | CC1=C(C(CCC1)(C)C)/C=C/C(=C\C=C\C(C)C/C=C\C=C(/C)\C=C\C=C(/C)\C=C/C=C(/C)\CCC=C(C)C)/C |
| Defined Bond Stereocenter Count | 9.0 |
| Taxonomy Direct Parent | Carotenes |
- 1. Outgoing r'ship
FOUND_INto/from Citrus Sinensis (Plant) Rel Props:Source_db:fooddb_chem_all - 2. Outgoing r'ship
FOUND_INto/from Zea Mays (Plant) Rel Props:Source_db:fooddb_chem_all