Reticulataxanthin
PubChem CID: 131752077
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| Compound Synonyms | Reticulataxanthin, Reticulaxanthin, 3-Hydroxycitraniaxanthin, CHEBI:176158, 3-Hydroxy-6'-methyl-6'-apo-b-caroten-6'-one, (3Z,5E,7Z,9E,11E,13Z,15E,17Z,19E)-20-(4-hydroxy-2,6,6-trimethylcyclohexen-1-yl)-5,9,14,18-tetramethylicosa-3,5,7,9,11,13,15,17,19-nonaen-2-one |
|---|---|
| Topological Polar Surface Area | 37.3 |
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 35.0 |
| Description | Peel constituent of tangerine (Citrus reticulata) and the tangerine hybrid (Minneola tangor). Reticulataxanthin is found in citrus. |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 1040.0 |
| Database Name | fooddb_chem_all;hmdb_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | (3Z,5E,7Z,9E,11E,13Z,15E,17Z,19E)-20-(4-hydroxy-2,6,6-trimethylcyclohexen-1-yl)-5,9,14,18-tetramethylicosa-3,5,7,9,11,13,15,17,19-nonaen-2-one |
| Nih Violation | True |
| Class | Prenol lipids |
| Xlogp | 9.2 |
| Superclass | Lipids and lipid-like molecules |
| Is Pains | False |
| Subclass | Triterpenoids |
| Molecular Formula | C33H44O2 |
| Inchi Key | JNRFHJQRIUJTNO-DBTGPYIJSA-N |
| Rotatable Bond Count | 10.0 |
| State | Solid |
| Synonyms | 3-Hydroxy-6'-methyl-6'-apo-b-caroten-6'-one, 3-Hydroxycitraniaxanthin, Reticulaxanthin |
| Compound Name | Reticulataxanthin |
| Kingdom | Organic compounds |
| Exact Mass | 472.334 |
| Formal Charge | 0.0 |
| Brenk Violation | True |
| Monoisotopic Mass | 472.334 |
| Hydrogen Bond Acceptor Count | 2.0 |
| Molecular Weight | 472.7 |
| 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/C33H44O2/c1-25(15-11-17-27(3)19-21-30(6)34)13-9-10-14-26(2)16-12-18-28(4)20-22-32-29(5)23-31(35)24-33(32,7)8/h9-22,31,35H,23-24H2,1-8H3/b10-9+,15-11-,16-12+,21-19-,22-20+,25-13+,26-14-,27-17+,28-18- |
| Smiles | CC1=C(C(CC(C1)O)(C)C)/C=C/C(=C\C=C\C(=C/C=C/C=C(\C)/C=C\C=C(/C)\C=C/C(=O)C)\C)/C |
| Defined Bond Stereocenter Count | 9.0 |
| Taxonomy Direct Parent | Triterpenoids |
- 1. Outgoing r'ship
FOUND_INto/from Citrus Reticulata (Plant) Rel Props:Source_db:fooddb_chem_all