Cryptoxanthin diepoxide
PubChem CID: 14558488
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| Compound Synonyms | Cryptoxanthin diepoxide, 5,6:5',6'-Diepoxy-5,5',6,6'-tetrahydro-beta-caroten-3-ol, 5,5',6,6'-Diepoxy-5,5',6,6'-tetrahydro-b,b-caroten-3-ol, 9CI |
|---|---|
| Topological Polar Surface Area | 45.3 |
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 43.0 |
| Description | Isolated from Eriobotrya japonica (loquat) fruit and Prunus persica fruit (peach mesocarp during ripening). Cryptoxanthin diepoxide is found in loquat and fruits. |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 1340.0 |
| Database Name | fooddb_chem_all;hmdb_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 1,5,5-trimethyl-6-[(1E,3E,5E,7E,9E,11E,13E,15E,17E)-3,7,12,16-tetramethyl-18-(2,2,6-trimethyl-7-oxabicyclo[4.1.0]heptan-1-yl)octadeca-1,3,5,7,9,11,13,15,17-nonaenyl]-7-oxabicyclo[4.1.0]heptan-3-ol |
| Nih Violation | True |
| Class | Prenol lipids |
| Xlogp | 10.7 |
| Superclass | Lipids and lipid-like molecules |
| Is Pains | False |
| Subclass | Tetraterpenoids |
| Molecular Formula | C40H56O3 |
| Inchi Key | ONQKWANDXQNLEJ-CGYYJCQDSA-N |
| Rotatable Bond Count | 10.0 |
| State | Solid |
| Synonyms | 5,5',6,6'-Diepoxy-5,5',6,6'-tetrahydro-b,b-caroten-3-ol, 9CI, 5,6:5',6'-Diepoxy-5,5',6,6'-tetrahydro-beta-caroten-3-ol, Cryptoxanthin diepoxide, 5,5',6,6'-Diepoxy-5,5',6,6'-tetrahydro-b,b-caroten-3-ol, 9ci |
| Substituent Name | Xanthophyll, Oxepane, Cyclic alcohol, Secondary alcohol, Oxacycle, Organoheterocyclic compound, Ether, Oxirane, Dialkyl ether, Hydrocarbon derivative, Organooxygen compound, Alcohol, Aliphatic heteropolycyclic compound |
| Compound Name | Cryptoxanthin diepoxide |
| Kingdom | Organic compounds |
| Exact Mass | 584.423 |
| Formal Charge | 0.0 |
| Brenk Violation | True |
| Monoisotopic Mass | 584.423 |
| Hydrogen Bond Acceptor Count | 3.0 |
| Molecular Weight | 584.9 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 5.0 |
| Total Bond Stereocenter Count | 9.0 |
| Molecular Framework | Aliphatic heteropolycyclic compounds |
| Inchi | InChI=1S/C40H56O3/c1-30(18-13-20-32(3)22-26-39-35(5,6)24-15-25-37(39,9)42-39)16-11-12-17-31(2)19-14-21-33(4)23-27-40-36(7,8)28-34(41)29-38(40,10)43-40/h11-14,16-23,26-27,34,41H,15,24-25,28-29H2,1-10H3/b12-11+,18-13+,19-14+,26-22+,27-23+,30-16+,31-17+,32-20+,33-21+ |
| Smiles | C/C(=C\C=C\C=C(/C)\C=C\C=C(/C)\C=C\C12C(CC(CC1(O2)C)O)(C)C)/C=C/C=C(\C)/C=C/C34C(CCCC3(O4)C)(C)C |
| Defined Bond Stereocenter Count | 9.0 |
| Taxonomy Direct Parent | Xanthophylls |
- 1. Outgoing r'ship
FOUND_INto/from Eriobotrya Japonica (Plant) Rel Props:Source_db:fooddb_chem_all