Germacrene C
PubChem CID: 25244915
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| Compound Synonyms | germacrene C, Germacren C, CHEBI:61478, (1E,3E,7E)-4-isopropyl-1,7-dimethylcyclodeca-1,3,7-triene, (1E,3E,7E)-1,7-dimethyl-4-propan-2-ylcyclodeca-1,3,7-triene, WYGLLWYGQRUNLF-XZCMGSLHSA-N, 34323-15-4, C19747, Q27131101 |
|---|---|
| Ghose Rule | True |
| Classyfire Kingdom | Organic compounds |
| Topological Polar Surface Area | 0.0 |
| Hydrogen Bond Donor Count | 0.0 |
| Pfizer 3 75 Rule | False |
| Scaffold Graph Level | C1CCCCCCCCC1 |
| Np Classifier Class | Germacrane sesquiterpenoids |
| Deep Smiles | C/C=CCC/C=C/C=CCC%10))/CC)C)))))/C |
| Heavy Atom Count | 15.0 |
| Classyfire Class | Prenol lipids |
| Scaffold Graph Node Level | C1CCCCCCCCC1 |
| Classyfire Subclass | Sesquiterpenoids |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 287.0 |
| Database Name | imppat_phytochem;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | (1E,3E,7E)-1,7-dimethyl-4-propan-2-ylcyclodeca-1,3,7-triene |
| Veber Rule | True |
| Classyfire Superclass | Lipids and lipid-like molecules |
| Xlogp | 4.1 |
| Gsk 4 400 Rule | False |
| Molecular Formula | C15H24 |
| Scaffold Graph Node Bond Level | C1=CCCC=CCCC=C1 |
| Inchi Key | WYGLLWYGQRUNLF-XZCMGSLHSA-N |
| Silicos It Class | Soluble |
| Rotatable Bond Count | 1.0 |
| Synonyms | germacrene c |
| Esol Class | Moderately soluble |
| Functional Groups | C/C(C)=CC=C(C)C, C/C=C(/C)C |
| Compound Name | Germacrene C |
| Exact Mass | 204.188 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 204.188 |
| Hydrogen Bond Acceptor Count | 0.0 |
| Molecular Weight | 204.35 |
| Gi Absorption | False |
| 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/c1-12(2)15-10-8-13(3)6-5-7-14(4)9-11-15/h6,9,11-12H,5,7-8,10H2,1-4H3/b13-6+,14-9+,15-11+ |
| Smiles | C/C/1=C\CC/C(=C/C=C(\CC1)/C(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 Citrus Paradisi (Plant) Rel Props:Reference:https://doi.org/10.1080/10412905.2001.9712221 - 2. Outgoing r'ship
FOUND_INto/from Eugenia Uniflora (Plant) Rel Props:Reference:https://doi.org/10.1080/10412905.1996.9700664 - 3. Outgoing r'ship
FOUND_INto/from Geranium Wallichianum (Plant) Rel Props:Reference:https://www.ncbi.nlm.nih.gov/pubmed/12757325 - 4. Outgoing r'ship
FOUND_INto/from Gynura Bicolor (Plant) Rel Props:Reference:https://doi.org/10.1002/ffj.2016 - 5. Outgoing r'ship
FOUND_INto/from Santalum Album (Plant) Rel Props:Reference:https://doi.org/10.1002/ffj.1718