Tangeraxanthin
PubChem CID: 131752512
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| Compound Synonyms | Tangeraxanthin, CHEBI:180757, 3-Hydroxy-4,5'-retro-5'-apo-b-caroten-5'-one, (3E,5E,7E,9E,11Z,13E,15E,17E,19Z,21Z)-21-(4-hydroxy-2,6,6-trimethylcyclohex-2-en-1-ylidene)-6,10,15,19-tetramethylhenicosa-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 | 36.0 |
| Description | Isolated from tangerine peel. Tangeraxanthin is found in citrus. |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 1100.0 |
| Database Name | fooddb_chem_all;hmdb_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | (3E,5E,7E,9E,11Z,13E,15E,17E,19Z,21Z)-21-(4-hydroxy-2,6,6-trimethylcyclohex-2-en-1-ylidene)-6,10,15,19-tetramethylhenicosa-3,5,7,9,11,13,15,17,19-nonaen-2-one |
| Nih Violation | True |
| Class | Prenol lipids |
| Xlogp | 9.4 |
| Superclass | Lipids and lipid-like molecules |
| Is Pains | False |
| Subclass | Triterpenoids |
| Molecular Formula | C34H44O2 |
| Inchi Key | KQBKJSVYIBRYNQ-KKMFPEKASA-N |
| Rotatable Bond Count | 10.0 |
| Synonyms | 3-Hydroxy-4,5'-retro-5'-apo-b-caroten-5'-one |
| Compound Name | Tangeraxanthin |
| Kingdom | Organic compounds |
| Exact Mass | 484.334 |
| Formal Charge | 0.0 |
| Brenk Violation | True |
| Monoisotopic Mass | 484.334 |
| Hydrogen Bond Acceptor Count | 2.0 |
| Molecular Weight | 484.7 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 1.0 |
| Total Bond Stereocenter Count | 10.0 |
| Molecular Framework | Aliphatic homomonocyclic compounds |
| Inchi | InChI=1S/C34H44O2/c1-26(16-11-18-28(3)20-13-21-31(6)35)14-9-10-15-27(2)17-12-19-29(4)22-23-33-30(5)24-32(36)25-34(33,7)8/h9-24,32,36H,25H2,1-8H3/b14-9-,15-10+,18-11+,19-12+,21-13+,26-16+,27-17+,28-20+,29-22-,33-23+ |
| Smiles | CC\1=CC(CC(/C1=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)(C)C)O |
| Defined Bond Stereocenter Count | 10.0 |
| Taxonomy Direct Parent | Triterpenoids |
- 1. Outgoing r'ship
FOUND_INto/from Citrus Reticulata (Plant) Rel Props:Source_db:fooddb_chem_all