cis-Dracunculifoliol
PubChem CID: 91749998
Connections displayed (default: 10).
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| Compound Synonyms | cis-Dracunculifoliol, XOCDJJVJLDUYLX-FZKCQIBNSA-N |
|---|---|
| Ghose Rule | True |
| Classyfire Kingdom | Organic compounds |
| Topological Polar Surface Area | 20.2 |
| Hydrogen Bond Donor Count | 1.0 |
| Pfizer 3 75 Rule | False |
| Scaffold Graph Level | CC1CCCC2CCCC12 |
| Np Classifier Class | Oppositane sesquiterpenoids |
| Deep Smiles | CC[C@H][C@@]C)CC[C@][C@@H]5C=C)CCC6)))))C)))))O))C |
| Heavy Atom Count | 17.0 |
| Classyfire Class | Prenol lipids |
| Scaffold Graph Node Level | CC1CCCC2CCCC12 |
| Classyfire Subclass | Sesquiterpenoids |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 319.0 |
| Database Name | imppat_phytochem;pubchem |
| Defined Atom Stereocenter Count | 4.0 |
| Iupac Name | (1R)-1-[(1S,3aS,7aS)-1,3a-dimethyl-7-methylidene-2,3,4,5,6,7a-hexahydroinden-1-yl]-2-methylpropan-1-ol |
| Veber Rule | True |
| Classyfire Superclass | Lipids and lipid-like molecules |
| Xlogp | 4.6 |
| Gsk 4 400 Rule | False |
| Molecular Formula | C16H28O |
| Scaffold Graph Node Bond Level | C=C1CCCC2CCCC12 |
| Inchi Key | XOCDJJVJLDUYLX-FZKCQIBNSA-N |
| Silicos It Class | Soluble |
| Rotatable Bond Count | 2.0 |
| Synonyms | cis-dracunculifoliol |
| Esol Class | Moderately soluble |
| Functional Groups | C=C(C)C, CO |
| Compound Name | cis-Dracunculifoliol |
| Exact Mass | 236.214 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 236.214 |
| Hydrogen Bond Acceptor Count | 1.0 |
| Molecular Weight | 236.39 |
| Gi Absorption | True |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 4.0 |
| Total Bond Stereocenter Count | 0.0 |
| Lipinski Rule Of 5 | True |
| Inchi | InChI=1S/C16H28O/c1-11(2)14(17)16(5)10-9-15(4)8-6-7-12(3)13(15)16/h11,13-14,17H,3,6-10H2,1-2,4-5H3/t13-,14+,15-,16-/m0/s1 |
| Smiles | CC(C)[C@H]([C@]1(CC[C@]2([C@@H]1C(=C)CCC2)C)C)O |
| Np Classifier Biosynthetic Pathway | Terpenoids |
| Defined Bond Stereocenter Count | 0.0 |
| 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