(z,z)-Geranyl linalool
PubChem CID: 129821401
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| Compound Synonyms | (z,z)-geranyl linalool |
|---|---|
| Ghose Rule | False |
| Classyfire Kingdom | Organic compounds |
| Topological Polar Surface Area | 20.2 |
| Hydrogen Bond Donor Count | 1.0 |
| Pfizer 3 75 Rule | False |
| Np Classifier Class | Acyclic monoterpenoids |
| Deep Smiles | C/C=C/C/C=CCCCC=CC)C)))))O)C))))))/CCC=CC)C |
| Heavy Atom Count | 21.0 |
| Classyfire Class | Prenol lipids |
| Classyfire Subclass | Diterpenoids |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 402.0 |
| Database Name | imppat_phytochem;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | (7Z,10Z)-2,6,11,15-tetramethylhexadeca-2,7,10,14-tetraen-6-ol |
| Veber Rule | True |
| Classyfire Superclass | Lipids and lipid-like molecules |
| Xlogp | 6.4 |
| Gsk 4 400 Rule | False |
| Molecular Formula | C20H34O |
| Inchi Key | SYWIUZCNOUKNSM-JCVFKXLGSA-N |
| Silicos It Class | Moderately soluble |
| Rotatable Bond Count | 9.0 |
| Synonyms | (z,z)-geranyl linalool |
| Esol Class | Moderately soluble |
| Functional Groups | C/C=C(C)C, C/C=CC, CC=C(C)C, CO |
| Compound Name | (z,z)-Geranyl linalool |
| Exact Mass | 290.261 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 290.261 |
| Hydrogen Bond Acceptor Count | 1.0 |
| Molecular Weight | 290.5 |
| Gi Absorption | True |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 1.0 |
| Total Bond Stereocenter Count | 2.0 |
| Lipinski Rule Of 5 | True |
| Inchi | InChI=1S/C20H34O/c1-17(2)11-9-14-19(5)13-7-8-15-20(6,21)16-10-12-18(3)4/h8,11-13,15,21H,7,9-10,14,16H2,1-6H3/b15-8-,19-13- |
| Smiles | CC(=CCC/C(=C\C/C=C\C(C)(CCC=C(C)C)O)/C)C |
| Np Classifier Biosynthetic Pathway | Terpenoids |
| Defined Bond Stereocenter Count | 2.0 |
| Egan Rule | False |
| Np Classifier Superclass | Monoterpenoids |
- 1. Outgoing r'ship
FOUND_INto/from Alkanna Tinctoria (Plant) Rel Props:Reference:https://doi.org/10.1007/s10068-010-0168-x