Apo-10'-violaxanthal
PubChem CID: 131752515
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| Compound Synonyms | Apo-10'-violaxanthal, Apoviolaxanthinal, 10'-Apoviolaxanthal, CHEBI:189914, 5,6-Epoxy-3-hydroxy-5,6-dihydro-10'-apo-b-caroten-10'-al, 5,6-Epoxy-5,6-dihydro-3-hydroxy-10'-apo-b,y-carotenal, 9CI, (3S,5R,6S)-5,6-Epoxy-5,6-dihydro-3-hydroxy-10'-apo-beta,psi-carotenal, (2Z,4Z,6E,8E,10E,12Z,14E)-15-(4-hydroxy-2,2,6-trimethyl-7-oxabicyclo[4.1.0]heptan-1-yl)-4,9,13-trimethylpentadeca-2,4,6,8,10,12,14-heptaenal |
|---|---|
| Topological Polar Surface Area | 49.8 |
| Hydrogen Bond Donor Count | 1.0 |
| Inchi Key | QZOYIQGWDBXSHB-AFMCRXATSA-N |
| Rotatable Bond Count | 8.0 |
| Synonyms | (3S,5R,6S)-5,6-Epoxy-5,6-dihydro-3-hydroxy-10'-apo-beta,psi-carotenal, 10'-Apoviolaxanthal, 5,6-Epoxy-3-hydroxy-5,6-dihydro-10'-apo-b-caroten-10'-al, 5,6-Epoxy-5,6-dihydro-3-hydroxy-10'-apo-b,y-carotenal, 9CI, Apoviolaxanthinal |
| Heavy Atom Count | 30.0 |
| Compound Name | Apo-10'-violaxanthal |
| Description | Isolated from Valencia orange peels. Apo-10'-violaxanthal is found in sweet orange and citrus. |
| Exact Mass | 408.266 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 408.266 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 847.0 |
| Hydrogen Bond Acceptor Count | 3.0 |
| Molecular Weight | 408.6 |
| Database Name | fooddb_chem_all;pubchem |
| Covalent Unit Count | 1.0 |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | (2Z,4Z,6E,8E,10E,12Z,14E)-15-(4-hydroxy-2,2,6-trimethyl-7-oxabicyclo[4.1.0]heptan-1-yl)-4,9,13-trimethylpentadeca-2,4,6,8,10,12,14-heptaenal |
| Total Atom Stereocenter Count | 3.0 |
| Total Bond Stereocenter Count | 7.0 |
| Inchi | InChI=1S/C27H36O3/c1-21(11-7-8-12-22(2)15-10-18-28)13-9-14-23(3)16-17-27-25(4,5)19-24(29)20-26(27,6)30-27/h7-18,24,29H,19-20H2,1-6H3/b8-7+,13-9+,15-10-,17-16+,21-11+,22-12-,23-14- |
| Smiles | C/C(=C\C=C\C=C(\C)/C=C\C=O)/C=C/C=C(/C)\C=C\C12C(CC(CC1(O2)C)O)(C)C |
| Xlogp | 6.5 |
| Defined Bond Stereocenter Count | 7.0 |
| Molecular Formula | C27H36O3 |
- 1. Outgoing r'ship
FOUND_INto/from Citrus Sinensis (Plant) Rel Props:Source_db:fooddb_chem_all