4,4'-Diapo-zeta-carotene
PubChem CID: 11315692
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| Compound Synonyms | 4,4'-Diapo-zeta-carotene, all-trans-4,4'-diapo-zeta-carotene, (6E,8E,10E,12E,14E,16E,18E)-2,6,10,15,19,23-hexamethyltetracosa-2,6,8,10,12,14,16,18,22-nonaene, 4,4'-diapo-zeta-carotenes, CHEBI:62741, CHEBI:62742, LMPR01070142, 7,8,7',8'-Tetrahydro-4,4'-diapocarotene, C19841, Q27132137, 2,6,10,15,19,23-hexamethyltetracosa-2,6,8,10,12,14,16,18,22-nonaene |
|---|---|
| Topological Polar Surface Area | 0.0 |
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 30.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 691.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | (6E,8E,10E,12E,14E,16E,18E)-2,6,10,15,19,23-hexamethyltetracosa-2,6,8,10,12,14,16,18,22-nonaene |
| Prediction Hob | 1.0 |
| Xlogp | 11.7 |
| Molecular Formula | C30H44 |
| Prediction Swissadme | 0.0 |
| Inchi Key | JJMKRPXUHIPSAW-ZOKJSSERSA-N |
| Fcsp3 | 0.4 |
| Logs | -5.143 |
| Rotatable Bond Count | 12.0 |
| Logd | 4.857 |
| Compound Name | 4,4'-Diapo-zeta-carotene |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 404.344 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 404.344 |
| Hydrogen Bond Acceptor Count | 0.0 |
| Molecular Weight | 404.7 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 7.0 |
| Esol | -8.953228400000002 |
| Inchi | InChI=1S/C30H44/c1-25(2)15-11-19-29(7)23-13-21-27(5)17-9-10-18-28(6)22-14-24-30(8)20-12-16-26(3)4/h9-10,13-18,21-24H,11-12,19-20H2,1-8H3/b10-9+,21-13+,22-14+,27-17+,28-18+,29-23+,30-24+ |
| Smiles | CC(=CCC/C(=C/C=C/C(=C/C=C/C=C(/C=C/C=C(/CCC=C(C)C)\C)\C)/C)/C)C |
| Nring | 0.0 |
| Defined Bond Stereocenter Count | 7.0 |
- 1. Outgoing r'ship
FOUND_INto/from Daucus Carota (Plant) Rel Props:Source_db:cmaup_ingredients - 2. Outgoing r'ship
FOUND_INto/from Diospyros Kaki (Plant) Rel Props:Source_db:cmaup_ingredients - 3. Outgoing r'ship
FOUND_INto/from Momordica Charantia (Plant) Rel Props:Source_db:cmaup_ingredients - 4. Outgoing r'ship
FOUND_INto/from Rosa Canina (Plant) Rel Props:Source_db:cmaup_ingredients - 5. Outgoing r'ship
FOUND_INto/from Solanum Lycopersicum (Plant) Rel Props:Source_db:cmaup_ingredients