Juniperol
PubChem CID: 6432447
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| Compound Synonyms | Juniperol, Longiborneol, Macrocarpol, (+)-Longiborneol, (+)-Juniperol, 465-24-7, UNII-6Y2Y2D5L4D, 6Y2Y2D5L4D, (8S)-2,6,6,9-tetramethyltricyclo[5.4.0.02,9]undecan-8-ol, (1R,2S,7S,8S,9R)-2,6,6,9-Tetramethyltricyclo[5.4.0.02,9]undecan-8-ol, 1,4-Methanoazulen-9-ol, decahydro-1,5,5,8a-tetramethyl-, (1R,3aR,4S,8aS,9S)-, 1,4-Methanoazulen-9-ol, decahydro-1,5,5,8a-tetramethyl-, (1R,3aR,4S,8aS,9S)-(+)-, 1,4-Methanoazulen-9-ol, decahydro-1,5,5,8a-tetramethyl-, (1R-(1alpha,3abeta,4alpha,8abeta,9S*))-, 1,4-Methanoazulen-9-ol, decahydro-1,5,5,8a-tetramethyl-, [1R-(1.alpha.,3a.beta.,4.alpha.,8a.beta.,9S*)]-, DTXSID20911841, CHEBI:172936, MNNFKQAYXGEKFA-MJBFILCRSA-N, 1,5,5,8a-Tetramethyldecahydro-1,4-methanoazulen-9-ol, 11075-64-2 |
|---|---|
| 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 | C1CCC2C3CCC2C(C1)C3 |
| Np Classifier Class | Longibornane sesquiterpenoids |
| Deep Smiles | O[C@H]CCCC5C)CC5)))C)CCCC7C)C |
| Heavy Atom Count | 16.0 |
| Classyfire Class | Prenol lipids |
| Scaffold Graph Node Level | C1CCC2C3CCC2C(C1)C3 |
| Classyfire Subclass | Monoterpenoids |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 321.0 |
| Database Name | cmaup_ingredients;imppat_phytochem;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 1.0 |
| Iupac Name | (8S)-2,6,6,9-tetramethyltricyclo[5.4.0.02,9]undecan-8-ol |
| Prediction Hob | 1.0 |
| Veber Rule | True |
| Classyfire Superclass | Lipids and lipid-like molecules |
| Xlogp | 4.5 |
| Gsk 4 400 Rule | True |
| Molecular Formula | C15H26O |
| Scaffold Graph Node Bond Level | C1CCC2C3CCC2C(C1)C3 |
| Prediction Swissadme | 0.0 |
| Inchi Key | MNNFKQAYXGEKFA-MJBFILCRSA-N |
| Silicos It Class | Soluble |
| Fcsp3 | 1.0 |
| Logs | -4.743 |
| Rotatable Bond Count | 0.0 |
| Logd | 4.223 |
| Synonyms | (+)-longiborneol, (+)longiborneol |
| Esol Class | Moderately soluble |
| Functional Groups | CO |
| Compound Name | Juniperol |
| Prediction Hob Swissadme | 0.0 |
| 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 | 5.0 |
| Total Bond Stereocenter Count | 0.0 |
| Lipinski Rule Of 5 | True |
| Esol | -4.0285063999999995 |
| Inchi | InChI=1S/C15H26O/c1-13(2)7-5-8-14(3)10-6-9-15(14,4)12(16)11(10)13/h10-12,16H,5-9H2,1-4H3/t10?,11?,12-,14?,15?/m0/s1 |
| Smiles | CC1(CCCC2(C3C1[C@@H](C2(CC3)C)O)C)C |
| Nring | 3.0 |
| 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 Acorus Gramineus (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 2. Outgoing r'ship
FOUND_INto/from Artemisia Argyi (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 3. Outgoing r'ship
FOUND_INto/from Artemisia Montana (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 4. Outgoing r'ship
FOUND_INto/from Artemisia Princeps (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 5. Outgoing r'ship
FOUND_INto/from Cedrus Atlantica (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 6. Outgoing r'ship
FOUND_INto/from Cedrus Deodara (Plant) Rel Props:Reference:ISBN:9788185042053