(Z)2,(E)4,(E)6-Allofarnesene
PubChem CID: 6429217
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| Compound Synonyms | (Z)2,(E)4,(E)6-ALLOFARNESENE, 2Z,4E,6E-Allofarnesene, JEKGHHPMLRLCIW-PTXCUWFCSA-N, DTXSID501221612, 26560-15-6, (2z,4e,6e)-3,7,11-trimethyl-2,4,6,10-dodecatetraene |
|---|---|
| Ghose Rule | True |
| Classyfire Kingdom | Organic compounds |
| Topological Polar Surface Area | 0.0 |
| Hydrogen Bond Donor Count | 0.0 |
| Pfizer 3 75 Rule | False |
| Np Classifier Class | Farnesane sesquiterpenoids |
| Deep Smiles | C/C=CC=CC=CCCC=CC)C)))))/C)))))/C |
| Heavy Atom Count | 15.0 |
| Classyfire Class | Prenol lipids |
| Classyfire Subclass | Sesquiterpenoids |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 281.0 |
| Database Name | imppat_phytochem;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | (2Z,4E,6E)-3,7,11-trimethyldodeca-2,4,6,10-tetraene |
| Veber Rule | True |
| Classyfire Superclass | Lipids and lipid-like molecules |
| Xlogp | 6.1 |
| Gsk 4 400 Rule | False |
| Molecular Formula | C15H24 |
| Inchi Key | JEKGHHPMLRLCIW-PTXCUWFCSA-N |
| Silicos It Class | Soluble |
| Rotatable Bond Count | 5.0 |
| Synonyms | (2e,4e,63)-allofarnesene, 2z,4e,6e-allofarnesene |
| Esol Class | Soluble |
| Functional Groups | C/C=C(C)C=CC=C(C)C, CC=C(C)C |
| Compound Name | (Z)2,(E)4,(E)6-Allofarnesene |
| Exact Mass | 204.188 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 204.188 |
| Hydrogen Bond Acceptor Count | 0.0 |
| Molecular Weight | 204.35 |
| Gi Absorption | True |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 3.0 |
| Lipinski Rule Of 5 | True |
| Inchi | InChI=1S/C15H24/c1-6-14(4)10-8-12-15(5)11-7-9-13(2)3/h6,8-10,12H,7,11H2,1-5H3/b10-8+,14-6-,15-12+ |
| Smiles | C/C=C(/C)\C=C\C=C(/C)\CCC=C(C)C |
| Np Classifier Biosynthetic Pathway | Terpenoids |
| Defined Bond Stereocenter Count | 3.0 |
| Egan Rule | True |
| Np Classifier Superclass | Sesquiterpenoids |
- 1. Outgoing r'ship
FOUND_INto/from Melissa Officinalis (Plant) Rel Props:Reference:https://doi.org/10.15482/usda.adc/1239279 - 2. Outgoing r'ship
FOUND_INto/from Perilla Frutescens (Plant) Rel Props:Reference:https://doi.org/10.15482/usda.adc/1239279