(E)-4,8-Dimethyl-1,3,7-nonatriene
PubChem CID: 6427110
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| Compound Synonyms | 19945-61-0, (E)-4,8-Dimethyl-1,3,7-nonatriene, 4,8-Dimethylnona-1,3,7-triene, (3E)-4,8-dimethylnona-1,3,7-triene, (3E)-4,8-dimethyl-1,3,7-nonatriene, 51911-82-1, 1,3,7-Nonatriene, 4,8-dimethyl-, (3E)-, (e)-4,8-dimethylnona-1,3,7-triene, 4,8-dimethyl-1,3(E),7-nonatriene, 4,8-Dimethyl-1,3E,7-nonatriene, e-4,8-dimethyl-1,3,7-nonatriene, 1,3,7-Nonatriene, 4,8-dimethyl-, (E)-, CHEBI:60158, 2,6-dimethyl-2,6,8-nonatriene, DTXSID201304588, LMFA11000037, 1,3,7-Nonatriene, 4,8-dimethyl-,, (3E)-4,8-dimethyl-nona-1,3,7-triene, (E)-4,8-Dimethylnona-1, 3, 7-triene, DB-309887, CS-0224691, C21795, EN300-120476, G76818, A828848, Q27127102 |
|---|---|
| Ghose Rule | False |
| Classyfire Kingdom | Organic compounds |
| Topological Polar Surface Area | 0.0 |
| Hydrogen Bond Donor Count | 0.0 |
| Pfizer 3 75 Rule | False |
| Np Classifier Class | Hydrocarbons |
| Deep Smiles | C=C/C=C/CCC=CC)C)))))C |
| Heavy Atom Count | 11.0 |
| Classyfire Class | Prenol lipids |
| Description | Constituent of essential oil of Elettaria cardamomum (cardamom). (E)-4,8-Dimethyl-1,3,7-nonatriene is found in cardamom, herbs and spices, and rose hip. |
| Classyfire Subclass | Monoterpenoids |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 166.0 |
| Database Name | fooddb_chem_all;hmdb_chem_all;imppat_phytochem;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | (3E)-4,8-dimethylnona-1,3,7-triene |
| Class | Prenol lipids |
| Veber Rule | True |
| Classyfire Superclass | Lipids and lipid-like molecules |
| Xlogp | 4.6 |
| Superclass | Lipids and lipid-like molecules |
| Subclass | Monoterpenoids |
| Gsk 4 400 Rule | True |
| Molecular Formula | C11H18 |
| Inchi Key | LUKZREJJLWEWQM-YRNVUSSQSA-N |
| Silicos It Class | Soluble |
| Rotatable Bond Count | 4.0 |
| Synonyms | (3E)-4,8-dimethyl-1,3,7-nonatriene, (E)-4,8-Dimethylnona-1, 3, 7-triene, 4,8-dimethyl-1,3(E),7-nonatriene, DMNT, (3E)-4,8-Dimethylnona-1,3,7-triene, (3E)-4,8-Dimethyl-1,3,7-nonatriene, (e)-4,8-Dimethylnona-1, 3, 7-triene, 4,8-Dimethyl-1,3(e),7-nonatriene, 3E-DMNT, 4,8-Dimethyl-1,3,7-nonatriene, (3e)-4,8-dimethylnona-1,3,7-triene, (e)-4,8 dimethyl-1,3,7-nonatriene, (e)-4,8-dimethyl-1,3,7-nonatriene, 4,8 dimethylnona-1,3,7-triene, 4,8-dimethyl-1,3,7-nonatriene, 4,8-dimethyl-1,3,7nonatriene, e-4,8-dimethyl-1,3,7-nonatriene, e-48-dimethyl-137-nonatriene |
| Esol Class | Soluble |
| Functional Groups | C=C/C=C(/C)C, CC=C(C)C |
| Compound Name | (E)-4,8-Dimethyl-1,3,7-nonatriene |
| Kingdom | Organic compounds |
| Exact Mass | 150.141 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 150.141 |
| Hydrogen Bond Acceptor Count | 0.0 |
| Molecular Weight | 150.26 |
| Gi Absorption | False |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 1.0 |
| Molecular Framework | Aliphatic acyclic compounds |
| Lipinski Rule Of 5 | True |
| Inchi | InChI=1S/C11H18/c1-5-7-11(4)9-6-8-10(2)3/h5,7-8H,1,6,9H2,2-4H3/b11-7+ |
| Smiles | CC(=CCC/C(=C/C=C)/C)C |
| Np Classifier Biosynthetic Pathway | Fatty acids, Terpenoids |
| Defined Bond Stereocenter Count | 1.0 |
| Egan Rule | True |
| Taxonomy Direct Parent | Acyclic monoterpenoids |
| Np Classifier Superclass | Fatty acyls |
- 1. Outgoing r'ship
FOUND_INto/from Aframomum Melegueta (Plant) Rel Props:Reference:https://doi.org/10.1002/ffj.1554 - 2. Outgoing r'ship
FOUND_INto/from Citrus Maxima (Plant) Rel Props:Reference:https://doi.org/10.1080/0972060x.2017.1377112 - 3. Outgoing r'ship
FOUND_INto/from Elettaria Cardamomum (Plant) Rel Props:Source_db:fooddb_chem_all - 4. Outgoing r'ship
FOUND_INto/from Magnolia Grandiflora (Plant) Rel Props:Reference:https://doi.org/10.1080/0972060x.2012.10644108 - 5. Outgoing r'ship
FOUND_INto/from Ribes Rubrum (Plant) Rel Props:Reference:https://doi.org/10.1080/10412905.2018.1547226 - 6. Outgoing r'ship
FOUND_INto/from Scutellaria Baicalensis (Plant) Rel Props:Reference:https://doi.org/10.1080/0972060x.2009.10643741 - 7. Outgoing r'ship
FOUND_INto/from Solidago Virgaurea (Plant) Rel Props:Reference:https://doi.org/10.1080/10412905.2006.9699382 - 8. Outgoing r'ship
FOUND_INto/from Zea Mays (Plant) Rel Props:Reference:https://www.ncbi.nlm.nih.gov/pubmed/21191806