Alloocimene, (4E,6Z)-
PubChem CID: 5371125
Connections displayed (default: 10).
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| Compound Synonyms | Neo-alloocimene, Neo-allo-ocimene, 7216-56-0, (E,Z)-2,6-Dimethylocta-2,4,6-triene, Alloocimene, (4E,6Z)-, (4E,6Z)-alloocimene, 7E8T33HY3A, ALLOOCIMENE B, EINECS 230-603-6, 2,4,6-Octatriene, 2,6-dimethyl-, (E,Z)-, (4E,6Z)-2,6-dimethylocta-2,4,6-triene, ALLOCIMENE, 4E,6Z-, 2,4,6-Octatriene, 2,6-dimethyl-, (4E,6Z)-, (4Z,6Z)-alloocimene, (4E,6Z)-2,6-Dimethyl-2,4,6-octatriene, UNII-7E8T33HY3A, NSC406263, (E,Z)-Allo-Ocimene, (4E,6Z)-allo-Ocimene, 4-trans,6-cis-Allocimene, NEO-ALLOOCIMENE, STAB., GQVMHMFBVWSSPF-DAIHKBMKSA-, CHEBI:144704, DTXSID601032028, 2,6-dimethyl-octa-2,4trans,6cis-triene, Q27268144, InChI=1/C10H16/c1-5-10(4)8-6-7-9(2)3/h5-8H,1-4H3/b8-6+,10-5- |
|---|---|
| Topological Polar Surface Area | 0.0 |
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 10.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 164.0 |
| Database Name | cmaup_ingredients;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | (4E,6Z)-2,6-dimethylocta-2,4,6-triene |
| Prediction Hob | 1.0 |
| Xlogp | 4.2 |
| Molecular Formula | C10H16 |
| Prediction Swissadme | 0.0 |
| Inchi Key | GQVMHMFBVWSSPF-DAIHKBMKSA-N |
| Fcsp3 | 0.4 |
| Logs | -3.749 |
| Rotatable Bond Count | 2.0 |
| Logd | 3.749 |
| Compound Name | Alloocimene, (4E,6Z)- |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 136.125 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 136.125 |
| Hydrogen Bond Acceptor Count | 0.0 |
| Molecular Weight | 136.23 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 2.0 |
| Esol | -3.1986756 |
| Inchi | InChI=1S/C10H16/c1-5-10(4)8-6-7-9(2)3/h5-8H,1-4H3/b8-6+,10-5- |
| Smiles | C/C=C(/C)\C=C\C=C(C)C |
| Nring | 0.0 |
| Defined Bond Stereocenter Count | 2.0 |
- 1. Outgoing r'ship
FOUND_INto/from Angelica Acutiloba (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 2. Outgoing r'ship
FOUND_INto/from Angelica Gigas (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 3. Outgoing r'ship
FOUND_INto/from Angelica Sinensis (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 4. Outgoing r'ship
FOUND_INto/from Capsicum Annuum (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 5. Outgoing r'ship
FOUND_INto/from Ferula Assafoetida (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 6. Outgoing r'ship
FOUND_INto/from Ferula Fukanensis (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 7. Outgoing r'ship
FOUND_INto/from Hansenia Forbesii (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 8. Outgoing r'ship
FOUND_INto/from Hansenia Weberbaueriana (Plant) Rel Props:Source_db:cmaup_ingredients - 9. Outgoing r'ship
FOUND_INto/from Ostericum Grosseserratum (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 10. Outgoing r'ship
FOUND_INto/from Zanthoxylum Bungeanum (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 11. Outgoing r'ship
FOUND_INto/from Zanthoxylum Piperitum (Plant) Rel Props:Source_db:npass_chem_all - 12. Outgoing r'ship
FOUND_INto/from Zanthoxylum Schinifolium (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all