3,6:3',6'-Diepoxy-5,5',6,6'-tetrahydro-b,b-carotene-5,5'-diol
PubChem CID: 131752303
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| Compound Synonyms | 3,6:3',6'-Diepoxy-5,5',6,6'-tetrahydro-b,b-carotene-5,5'-diol, (3S,3'S,5R,5'R,6R,6'R)-3,6:3',6'-Diepoxy-5,5',6,6'-tetrahydro-5,5'-dihydroxy-beta,beta-carotene |
|---|---|
| Topological Polar Surface Area | 58.9 |
| Hydrogen Bond Donor Count | 2.0 |
| Inchi Key | RZEVGLVRLUDYEA-GGFCQLCOSA-N |
| Rotatable Bond Count | 10.0 |
| State | Solid |
| Synonyms | (3S,3'S,5R,5'R,6R,6'R)-3,6:3',6'-Diepoxy-5,5',6,6'-tetrahydro-5,5'-dihydroxy-beta,beta-carotene, 3,6:3',6'-Diepoxy-5,5',6,6'-tetrahydro-b,b-carotene-5,5'-diol, (3S,3's,5R,5'r,6R,6'r)-3,6:3',6'-Diepoxy-5,5',6,6'-tetrahydro-5,5'-dihydroxy-beta,beta-carotene, Cycloviolaxanthin |
| Heavy Atom Count | 44.0 |
| Compound Name | 3,6:3',6'-Diepoxy-5,5',6,6'-tetrahydro-b,b-carotene-5,5'-diol |
| Kingdom | Organic compounds |
| Description | Isolated from red paprika Capsicum annuum variety longum nigrum. Cycloviolaxanthin is found in many foods, some of which are orange bell pepper, herbs and spices, italian sweet red pepper, and red bell pepper. |
| Exact Mass | 600.418 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 600.418 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 1270.0 |
| Hydrogen Bond Acceptor Count | 4.0 |
| Molecular Weight | 600.9 |
| Database Name | fooddb_chem_all;hmdb_chem_all;pubchem |
| Covalent Unit Count | 1.0 |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 1-[(1E,3E,5Z,7E,9E,11Z,13E,15Z,17E)-18-(2-hydroxy-2,6,6-trimethyl-7-oxabicyclo[2.2.1]heptan-1-yl)-3,7,12,16-tetramethyloctadeca-1,3,5,7,9,11,13,15,17-nonaenyl]-2,6,6-trimethyl-7-oxabicyclo[2.2.1]heptan-2-ol |
| Total Atom Stereocenter Count | 6.0 |
| Molecular Framework | Aliphatic heteropolycyclic compounds |
| Total Bond Stereocenter Count | 9.0 |
| Class | Prenol lipids |
| Inchi | InChI=1S/C40H56O4/c1-29(17-13-19-31(3)21-23-39-35(5,6)25-33(43-39)27-37(39,9)41)15-11-12-16-30(2)18-14-20-32(4)22-24-40-36(7,8)26-34(44-40)28-38(40,10)42/h11-24,33-34,41-42H,25-28H2,1-10H3/b12-11+,17-13-,18-14+,23-21+,24-22+,29-15+,30-16-,31-19+,32-20- |
| Smiles | C/C(=C/C=C/C=C(\C)/C=C\C=C(/C)\C=C\C12C(CC(O1)CC2(C)O)(C)C)/C=C/C=C(/C)\C=C\C34C(CC(O3)CC4(C)O)(C)C |
| Xlogp | 9.8 |
| Superclass | Lipids and lipid-like molecules |
| Defined Bond Stereocenter Count | 9.0 |
| Subclass | Tetraterpenoids |
| Taxonomy Direct Parent | Xanthophylls |
| Molecular Formula | C40H56O4 |
- 1. Outgoing r'ship
FOUND_INto/from Capsicum Annuum (Plant) Rel Props:Source_db:fooddb_chem_all - 2. Outgoing r'ship
FOUND_INto/from Capsicum Frutescens (Plant) Rel Props:Source_db:fooddb_chem_all