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 |
| Heavy Atom Count | 44.0 |
| 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. |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 1270.0 |
| Database Name | fooddb_chem_all;hmdb_chem_all;pubchem |
| 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 |
| Nih Violation | True |
| Class | Prenol lipids |
| Xlogp | 9.8 |
| Superclass | Lipids and lipid-like molecules |
| Is Pains | False |
| Subclass | Tetraterpenoids |
| Molecular Formula | C40H56O4 |
| 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 |
| Compound Name | 3,6:3',6'-Diepoxy-5,5',6,6'-tetrahydro-b,b-carotene-5,5'-diol |
| Kingdom | Organic compounds |
| Exact Mass | 600.418 |
| Formal Charge | 0.0 |
| Brenk Violation | True |
| Monoisotopic Mass | 600.418 |
| Hydrogen Bond Acceptor Count | 4.0 |
| Molecular Weight | 600.9 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 6.0 |
| Total Bond Stereocenter Count | 9.0 |
| Molecular Framework | Aliphatic heteropolycyclic compounds |
| 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 |
| Defined Bond Stereocenter Count | 9.0 |
| Taxonomy Direct Parent | Xanthophylls |
- 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