3-Hydroxy-10'-apo-b,y-carotenal
PubChem CID: 87443544
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| Compound Synonyms | 3-Hydroxy-10'-apo-b,y-carotenal, Apo-3-zeaxanthinal, SCHEMBL2838016, 3-Hydroxy-b-apo-10'-carotenal, CHEBI:192131, DTXSID201103318, 3-Hydroxy-10'-apo-b,y-carotenal, 9CI, (2E,4E,6E,8E,10E,12E,14E)-15-(4-Hydroxy-2,6,6-trimethyl-1-cyclohexen-1-yl)-4,9,13-trimethyl-2,4,6,8,10,12,14-pentadecaheptaenal, (2E,4E,6E,8E,10E,12E,14E)-15-(4-hydroxy-2,6,6-trimethylcyclohexen-1-yl)-4,9,13-trimethylpentadeca-2,4,6,8,10,12,14-heptaenal, 15486-31-4 |
|---|---|
| Topological Polar Surface Area | 37.3 |
| Hydrogen Bond Donor Count | 1.0 |
| Inchi Key | HQPQTQQUHPFUOA-JNOJMRGUSA-N |
| Rotatable Bond Count | 8.0 |
| Synonyms | 3-Hydroxy-10'-apo-b,y-carotenal, 9CI, 3-Hydroxy-b-apo-10'-carotenal, Apo-3-zeaxanthinal |
| Heavy Atom Count | 29.0 |
| Compound Name | 3-Hydroxy-10'-apo-b,y-carotenal |
| Description | Prob. isolated from Sinton citrangequat. 3-Hydroxy-10'-apo-b,y-carotenal is found in citrus. |
| Exact Mass | 392.272 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 392.272 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 805.0 |
| Hydrogen Bond Acceptor Count | 2.0 |
| Molecular Weight | 392.6 |
| Database Name | fooddb_chem_all;pubchem |
| Covalent Unit Count | 1.0 |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | (2E,4E,6E,8E,10E,12E,14E)-15-(4-hydroxy-2,6,6-trimethylcyclohexen-1-yl)-4,9,13-trimethylpentadeca-2,4,6,8,10,12,14-heptaenal |
| Total Atom Stereocenter Count | 1.0 |
| Total Bond Stereocenter Count | 7.0 |
| Inchi | InChI=1S/C27H36O2/c1-21(11-7-8-12-22(2)15-10-18-28)13-9-14-23(3)16-17-26-24(4)19-25(29)20-27(26,5)6/h7-18,25,29H,19-20H2,1-6H3/b8-7+,13-9+,15-10+,17-16+,21-11+,22-12+,23-14+ |
| 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=O)/C)/C |
| Xlogp | 7.1 |
| Defined Bond Stereocenter Count | 7.0 |
| Molecular Formula | C27H36O2 |
- 1. Outgoing r'ship
FOUND_INto/from Capsicum Annuum (Plant) Rel Props:Source_db:fooddb_chem_all