Fokienol
PubChem CID: 5352449
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| Compound Synonyms | Fokienol, Fokienol [(E,E)-Farnesa-1,6,9,11-tetraen-3-ol], Q67879889, 33440-00-5 |
|---|---|
| Ghose Rule | True |
| Classyfire Kingdom | Organic compounds |
| Topological Polar Surface Area | 20.2 |
| Hydrogen Bond Donor Count | 1.0 |
| Pfizer 3 75 Rule | False |
| Np Classifier Class | Farnesane sesquiterpenoids |
| Deep Smiles | C=CCCC/C=C/CCC/C=C/C=C)C)))))))C)))))O)C |
| Heavy Atom Count | 18.0 |
| Classyfire Class | Prenol lipids |
| Classyfire Subclass | Monoterpenoids |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 323.0 |
| Database Name | imppat_phytochem;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | (6E,11E)-3,7,13-trimethyltetradeca-1,6,11,13-tetraen-3-ol |
| Veber Rule | True |
| Classyfire Superclass | Lipids and lipid-like molecules |
| Xlogp | 5.5 |
| Gsk 4 400 Rule | False |
| Molecular Formula | C17H28O |
| Inchi Key | XCTSDLUOCRRDLZ-YZLWMTBJSA-N |
| Silicos It Class | Soluble |
| Rotatable Bond Count | 9.0 |
| Synonyms | fokienol |
| Esol Class | Moderately soluble |
| Functional Groups | C/C=C(/C)C, C=C(C)/C=C/C, C=CC, CO |
| Compound Name | Fokienol |
| Exact Mass | 248.214 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 248.214 |
| Hydrogen Bond Acceptor Count | 1.0 |
| Molecular Weight | 248.4 |
| 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/C17H28O/c1-6-17(5,18)14-10-13-16(4)12-9-7-8-11-15(2)3/h6,8,11,13,18H,1-2,7,9-10,12,14H2,3-5H3/b11-8+,16-13+ |
| Smiles | CC(=C)/C=C/CCC/C(=C/CCC(C)(C=C)O)/C |
| Np Classifier Biosynthetic Pathway | Terpenoids |
| Defined Bond Stereocenter Count | 2.0 |
| Egan Rule | True |
| Np Classifier Superclass | Sesquiterpenoids |
- 1. Outgoing r'ship
FOUND_INto/from Achillea Millefolium (Plant) Rel Props:Reference:https://doi.org/10.1080/10412905.2016.1150216 - 2. Outgoing r'ship
FOUND_INto/from Arnica Montana (Plant) Rel Props:Reference:https://doi.org/10.1080/10412905.2016.1150216 - 3. Outgoing r'ship
FOUND_INto/from Artemisia Absinthium (Plant) Rel Props:Reference:https://doi.org/10.1080/10412905.2016.1150216 - 4. Outgoing r'ship
FOUND_INto/from Artemisia Annua (Plant) Rel Props:Reference:https://doi.org/10.1080/10412905.2016.1150216 - 5. Outgoing r'ship
FOUND_INto/from Ocimum Americanum (Plant) Rel Props:Reference:https://doi.org/10.1080/10412905.2014.942808 - 6. Outgoing r'ship
FOUND_INto/from Ocimum Basilicum (Plant) Rel Props:Reference:https://doi.org/10.1080/10412905.2014.942808 - 7. Outgoing r'ship
FOUND_INto/from Ocimum Gratissimum (Plant) Rel Props:Reference:https://doi.org/10.1080/10412905.2014.942808 - 8. Outgoing r'ship
FOUND_INto/from Ocimum Kilimandscharicum (Plant) Rel Props:Reference:https://doi.org/10.1080/10412905.2014.942808 - 9. Outgoing r'ship
FOUND_INto/from Origanum Majorana (Plant) Rel Props:Reference:https://doi.org/10.1080/0972060x.2016.1264276 - 10. Outgoing r'ship
FOUND_INto/from Santalum Album (Plant) Rel Props:Reference:https://doi.org/10.1080/10412905.2003.9712064