1,5,5,8-Tetramethyltricyclo[5.4.0.0^{4,8}]undecan-7-ol
PubChem CID: 610072
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| Compound Synonyms | 1,5,5,8-tetramethyltricyclo[5.4.0.0^{4,8}]undecan-7-ol, QOXUIQMPPDIDGM-UHFFFAOYSA-N, 3,3,7,11-Tetramethyltricyclo[5.4.0.0(4,11)]undecan-1-ol, Octahydro-2,2,4,7a-tetramethyl-1,4-ethano-3aH-inden-3a-ol, 9CI |
|---|---|
| Topological Polar Surface Area | 20.2 |
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 16.0 |
| Description | Isolated from ginseng plant rootlets. Ginsenol is found in tea. |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 334.0 |
| Database Name | cmaup_ingredients;fooddb_chem_all;hmdb_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 1,5,5,8-tetramethyltricyclo[5.4.0.04,8]undecan-7-ol |
| Prediction Hob | 1.0 |
| Class | Organooxygen compounds |
| Xlogp | 4.0 |
| Superclass | Organic oxygen compounds |
| Subclass | Alcohols and polyols |
| Molecular Formula | C15H26O |
| Prediction Swissadme | 0.0 |
| Inchi Key | QOXUIQMPPDIDGM-UHFFFAOYSA-N |
| Fcsp3 | 1.0 |
| Logs | -4.142 |
| Rotatable Bond Count | 0.0 |
| Logd | 3.515 |
| Synonyms | Octahydro-2,2,4,7a-tetramethyl-1,4-ethano-3aH-inden-3a-ol, 9CI, Octahydro-2,2,4,7a-tetramethyl-1,4-ethano-3ah-inden-3a-ol, 9ci, Ginsenol |
| Compound Name | 1,5,5,8-Tetramethyltricyclo[5.4.0.0^{4,8}]undecan-7-ol |
| Kingdom | Organic compounds |
| 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 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 4.0 |
| Total Bond Stereocenter Count | 0.0 |
| Molecular Framework | Aliphatic homopolycyclic compounds |
| Esol | -3.7450063999999994 |
| Inchi | InChI=1S/C15H26O/c1-12(2)10-15(16)13(3)7-5-8-14(15,4)11(12)6-9-13/h11,16H,5-10H2,1-4H3 |
| Smiles | CC1(CC2(C3(CCCC2(C1CC3)C)C)O)C |
| Nring | 3.0 |
| Defined Bond Stereocenter Count | 0.0 |
| Taxonomy Direct Parent | Tertiary alcohols |
- 1. Outgoing r'ship
FOUND_INto/from Panax Ginseng (Plant) Rel Props:Source_db:cmaup_ingredients