1,6-Germacradien-5-ol
PubChem CID: 91748908
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| Compound Synonyms | 1,6-germacradien-5-ol |
|---|---|
| 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 | C1CCCCCCCCC1 |
| Np Classifier Class | Germacrane sesquiterpenoids |
| Deep Smiles | C/C=C/CCCC)C))C/C=CCCC%10)))/C)))O |
| Heavy Atom Count | 16.0 |
| Classyfire Class | Prenol lipids |
| Scaffold Graph Node Level | C1CCCCCCCCC1 |
| Classyfire Subclass | Sesquiterpenoids |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 273.0 |
| Database Name | cmaup_ingredients;imppat_phytochem;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | (2Z,7Z)-3,7-dimethyl-10-propan-2-ylcyclodeca-2,7-dien-1-ol |
| Prediction Hob | 1.0 |
| Veber Rule | True |
| Classyfire Superclass | Lipids and lipid-like molecules |
| Xlogp | 3.6 |
| Gsk 4 400 Rule | False |
| Molecular Formula | C15H26O |
| Scaffold Graph Node Bond Level | C1=CCCCC=CCCC1 |
| Prediction Swissadme | 1.0 |
| Inchi Key | JZGKKDAVPHTIQS-KDVDBFTISA-N |
| Silicos It Class | Soluble |
| Fcsp3 | 0.7333333333333333 |
| Rotatable Bond Count | 1.0 |
| Synonyms | 1,6-germacradien-5-ol |
| Esol Class | Soluble |
| Functional Groups | C/C=C(C)C, CO |
| Compound Name | 1,6-Germacradien-5-ol |
| Prediction Hob Swissadme | 1.0 |
| Exact Mass | 222.198 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 222.198 |
| Hydrogen Bond Acceptor Count | 1.0 |
| Molecular Weight | 222.37 |
| Gi Absorption | True |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 2.0 |
| Total Bond Stereocenter Count | 2.0 |
| Lipinski Rule Of 5 | True |
| Esol | -3.4270064 |
| Inchi | InChI=1S/C15H26O/c1-11(2)14-9-8-12(3)6-5-7-13(4)10-15(14)16/h8,10-11,14-16H,5-7,9H2,1-4H3/b12-8-,13-10- |
| Smiles | C/C/1=C/CC(C(/C=C(\CCC1)/C)O)C(C)C |
| Np Classifier Biosynthetic Pathway | Terpenoids |
| Defined Bond Stereocenter Count | 2.0 |
| Egan Rule | True |
| Np Classifier Superclass | Sesquiterpenoids |
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FOUND_INto/from Breonia Chinensis (Plant) Rel Props:Reference: - 22. Outgoing r'ship
FOUND_INto/from Capillipedium Parviflorum (Plant) Rel Props:Reference:https://doi.org/10.1080/10412905.2012.677141 - 23. Outgoing r'ship
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FOUND_INto/from Listea Chinensis (Plant) Rel Props:Reference: - 58. Outgoing r'ship
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FOUND_INto/from Mentha Rotundifolia (Plant) Rel Props:Reference:https://doi.org/10.1080/10412905.2006.9699198 - 62. Outgoing r'ship
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FOUND_INto/from Schinus Molle (Plant) Rel Props:Reference:https://doi.org/10.1080/10412905.1997.9700813 - 85. Outgoing r'ship
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