Bixin aldehyde
PubChem CID: 10215446
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| Compound Synonyms | bixin aldehyde, Bixindial/ Bixin aldehyde, (2E,4E,6E,8E,10E,12E,14E,16E,18E)-4,8,13,17-tetramethylicosa-2,4,6,8,10,12,14,16,18-nonaenedial, Bixindial, Bixin dialdehyde, SCHEMBL13903766, 6,6'-Diapocarotene-6,6'-dial, CHEBI:133327, LMPR01070208 |
|---|---|
| Topological Polar Surface Area | 34.1 |
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 26.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 653.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | (2E,4E,6E,8E,10E,12E,14E,16E,18E)-4,8,13,17-tetramethylicosa-2,4,6,8,10,12,14,16,18-nonaenedial |
| Nih Violation | True |
| Prediction Hob | 0.0 |
| Xlogp | 7.1 |
| Is Pains | False |
| Molecular Formula | C24H28O2 |
| Prediction Swissadme | 0.0 |
| Inchi Key | IMKFJOUBSRCEPD-DBTAAFGWSA-N |
| Fcsp3 | 0.1666666666666666 |
| Rotatable Bond Count | 10.0 |
| Compound Name | Bixin aldehyde |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 348.209 |
| Formal Charge | 0.0 |
| Brenk Violation | True |
| Monoisotopic Mass | 348.209 |
| Hydrogen Bond Acceptor Count | 2.0 |
| Molecular Weight | 348.5 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 9.0 |
| Esol | -5.7947132 |
| Inchi | InChI=1S/C24H28O2/c1-21(13-7-15-23(3)17-9-19-25)11-5-6-12-22(2)14-8-16-24(4)18-10-20-26/h5-20H,1-4H3/b6-5+,13-7+,14-8+,17-9+,18-10+,21-11+,22-12+,23-15+,24-16+ |
| Smiles | C/C(=C\C=C\C=C(\C=C\C=C(\C=C\C=O)/C)/C)/C=C/C=C(/C=C/C=O)\C |
| Defined Bond Stereocenter Count | 9.0 |
- 1. Outgoing r'ship
FOUND_INto/from Glycine Max (Plant) Rel Props:Source_db:cmaup_ingredients