Cycloeudesmol
PubChem CID: 442362
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| Compound Synonyms | Cycloeudesmol, 53823-06-6, 2-[(1aR,3aR,7S,7aR)-3a,7-dimethyl-2,3,4,5,6,7-hexahydro-1H-cyclopropa[i]inden-1a-yl]propan-2-ol, DTXSID80331809, C09651, AC1L9COH, 2-((1aR,3aR,7S,7aR)-3a,7-dimethyl-2,3,4,5,6,7-hexahydro-1H-cyclopropa(i)inden-1a-yl)propan-2-ol, CHEBI:4001, DTXCID80282903, Q27106284 |
|---|---|
| Topological Polar Surface Area | 20.2 |
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 16.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 334.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 4.0 |
| Iupac Name | 2-[(1aR,3aR,7S,7aR)-3a,7-dimethyl-2,3,4,5,6,7-hexahydro-1H-cyclopropa[i]inden-1a-yl]propan-2-ol |
| Prediction Hob | 1.0 |
| Xlogp | 4.0 |
| Molecular Formula | C15H26O |
| Prediction Swissadme | 0.0 |
| Inchi Key | JUXDFQMZOFALSA-PMOUVXMZSA-N |
| Fcsp3 | 1.0 |
| Logs | -3.766 |
| Rotatable Bond Count | 1.0 |
| Logd | 3.023 |
| Compound Name | Cycloeudesmol |
| 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 |
| Esol | -3.6979064 |
| Inchi | InChI=1S/C15H26O/c1-11-6-5-7-13(4)8-9-14(12(2,3)16)10-15(11,13)14/h11,16H,5-10H2,1-4H3/t11-,13+,14-,15+/m0/s1 |
| Smiles | C[C@H]1CCC[C@]2([C@@]13C[C@@]3(CC2)C(C)(C)O)C |
| Nring | 3.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Celastrus Scandens (Plant) Rel Props:Source_db:cmaup_ingredients - 2. Outgoing r'ship
FOUND_INto/from Eleutherococcus Giraldii (Plant) Rel Props:Source_db:cmaup_ingredients - 3. Outgoing r'ship
FOUND_INto/from Isodon Flexicaulis (Plant) Rel Props:Source_db:cmaup_ingredients - 4. Outgoing r'ship
FOUND_INto/from Lespedeza Davidii (Plant) Rel Props:Source_db:cmaup_ingredients - 5. Outgoing r'ship
FOUND_INto/from Saponaria Officinalis (Plant) Rel Props:Source_db:cmaup_ingredients - 6. Outgoing r'ship
FOUND_INto/from Solanum Aethiopicum (Plant) Rel Props:Source_db:cmaup_ingredients - 7. Outgoing r'ship
FOUND_INto/from Tectona Grandis (Plant) Rel Props:Source_db:cmaup_ingredients