Cedr-8-en-13-ol
PubChem CID: 519545
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| Compound Synonyms | 8-cedren-13-ol, Cedr-8-en-13-ol, Cedren-13-ol, 8-, 8-Cedrene-13-ol, SCHEMBL8738320, PPTXKCYXNDLKTQ-UHFFFAOYSA-N, Cedr-8-en-13-ol, (-)-, Q67879655 |
|---|---|
| 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 | C1CC2CC3CCCC3(C1)C2 |
| Np Classifier Class | Cedrane and Isocedrane sesquiterpenoids |
| Deep Smiles | OCCC)CCCC5CCC5C)))))CC=C6C |
| Heavy Atom Count | 16.0 |
| Classyfire Class | Prenol lipids |
| Scaffold Graph Node Level | C1CC2CC3CCCC3(C1)C2 |
| Classyfire Subclass | Sesquiterpenoids |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 345.0 |
| Database Name | cmaup_ingredients;imppat_phytochem;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | (2,6,8-trimethyl-6-tricyclo[5.3.1.01,5]undec-8-enyl)methanol |
| Prediction Hob | 0.0 |
| Veber Rule | True |
| Classyfire Superclass | Lipids and lipid-like molecules |
| Xlogp | 3.4 |
| Gsk 4 400 Rule | True |
| Molecular Formula | C15H24O |
| Scaffold Graph Node Bond Level | C1=CC2CC3CCCC3(C1)C2 |
| Prediction Swissadme | 1.0 |
| Inchi Key | PPTXKCYXNDLKTQ-UHFFFAOYSA-N |
| Silicos It Class | Soluble |
| Fcsp3 | 0.8666666666666667 |
| Logs | -3.762 |
| Rotatable Bond Count | 1.0 |
| Logd | 3.32 |
| Synonyms | 8-cedren-13-ol, cedr-8-en-13-ol, cedren-13-ol, 8-, cedren-13-ol-8 |
| Esol Class | Soluble |
| Functional Groups | CC=C(C)C, CO |
| Compound Name | Cedr-8-en-13-ol |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 220.183 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 220.183 |
| Hydrogen Bond Acceptor Count | 1.0 |
| Molecular Weight | 220.35 |
| Gi Absorption | True |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 5.0 |
| Total Bond Stereocenter Count | 0.0 |
| Lipinski Rule Of 5 | True |
| Esol | -3.2759072 |
| Inchi | InChI=1S/C15H24O/c1-10-6-7-15-8-12(10)14(3,9-16)13(15)5-4-11(15)2/h6,11-13,16H,4-5,7-9H2,1-3H3 |
| Smiles | CC1CCC2C13CC=C(C(C3)C2(C)CO)C |
| Nring | 3.0 |
| Np Classifier Biosynthetic Pathway | Terpenoids |
| Defined Bond Stereocenter Count | 0.0 |
| Egan Rule | True |
| Np Classifier Superclass | Sesquiterpenoids |
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