Cedranoxide, 8,14-
PubChem CID: 566139
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| Compound Synonyms | Cedranoxide, 8,14-, 8,14-Cedranoxide, 8,14-Cedrane oxide, WHMSWWROVUQISG-UHFFFAOYSA-N |
|---|---|
| Ghose Rule | True |
| Classyfire Kingdom | Organic compounds |
| Topological Polar Surface Area | 9.2 |
| Hydrogen Bond Donor Count | 0.0 |
| Pfizer 3 75 Rule | False |
| Scaffold Graph Level | C1CC2C3CCC4CCC2(C1)CC43 |
| Np Classifier Class | Prezizaane sesquiterpenoids |
| Deep Smiles | CCCCCC5CCCCC6)C7C)CO5))))C |
| Heavy Atom Count | 16.0 |
| Classyfire Class | Tetrahydrofurans |
| Scaffold Graph Node Level | C1CC2C3COC4CCC2(C1)CC43 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 351.0 |
| Database Name | cmaup_ingredients;imppat_phytochem;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 4,7,11-trimethyl-5-oxatetracyclo[5.4.2.01,8.04,13]tridecane |
| Prediction Hob | 1.0 |
| Veber Rule | True |
| Classyfire Superclass | Organoheterocyclic compounds |
| Xlogp | 3.7 |
| Gsk 4 400 Rule | True |
| Molecular Formula | C15H24O |
| Scaffold Graph Node Bond Level | C1CC2C3COC4CCC2(C1)CC43 |
| Prediction Swissadme | 0.0 |
| Inchi Key | WHMSWWROVUQISG-UHFFFAOYSA-N |
| Silicos It Class | Soluble |
| Fcsp3 | 1.0 |
| Logs | -4.136 |
| Rotatable Bond Count | 0.0 |
| Logd | 3.488 |
| Synonyms | 8,14-cedranoxide |
| Esol Class | Soluble |
| Functional Groups | COC |
| Compound Name | Cedranoxide, 8,14- |
| 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 | 6.0 |
| Total Bond Stereocenter Count | 0.0 |
| Lipinski Rule Of 5 | True |
| Esol | -3.5120071999999993 |
| Inchi | InChI=1S/C15H24O/c1-10-4-5-11-13(2)9-16-14(3)6-7-15(10,11)8-12(13)14/h10-12H,4-9H2,1-3H3 |
| Smiles | CC1CCC2C13CCC4(C(C3)C2(CO4)C)C |
| Nring | 4.0 |
| 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 Aquilaria Sinensis (Plant) Rel Props:Reference:https://doi.org/10.5935/0103-5053.20130263 - 2. Outgoing r'ship
FOUND_INto/from Juniperus Recurva (Plant) Rel Props:Reference:ISBN:9788172362461; ISBN:9788185042138 - 3. Outgoing r'ship
FOUND_INto/from Juniperus Squamata (Plant) Rel Props:Reference:ISBN:9788185042138 - 4. Outgoing r'ship
FOUND_INto/from Panax Ginseng (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all