[(1S,4R,5S)-5-[(1S,2S)-1,2-dimethyl-3-methylidenecyclopentyl]-2-bicyclo[2.2.0]hex-2-enyl]methanol
PubChem CID: 162874486
Connections displayed (default: 10).
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| Prediction Swissadme | 1.0 |
|---|---|
| Topological Polar Surface Area | 20.2 |
| Hydrogen Bond Donor Count | 1.0 |
| Inchi Key | RYPZBJYEIAAUNP-WCDYYPSBSA-N |
| Fcsp3 | 0.7333333333333333 |
| Rotatable Bond Count | 2.0 |
| Heavy Atom Count | 16.0 |
| Compound Name | [(1S,4R,5S)-5-[(1S,2S)-1,2-dimethyl-3-methylidenecyclopentyl]-2-bicyclo[2.2.0]hex-2-enyl]methanol |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 218.167 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 218.167 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 368.0 |
| Hydrogen Bond Acceptor Count | 1.0 |
| Molecular Weight | 218.33 |
| Database Name | cmaup_ingredients;pubchem |
| Covalent Unit Count | 1.0 |
| Defined Atom Stereocenter Count | 5.0 |
| Iupac Name | [(1S,4R,5S)-5-[(1S,2S)-1,2-dimethyl-3-methylidenecyclopentyl]-2-bicyclo[2.2.0]hex-2-enyl]methanol |
| Total Atom Stereocenter Count | 5.0 |
| Total Bond Stereocenter Count | 0.0 |
| Prediction Hob | 0.0 |
| Esol | -2.6304079999999996 |
| Inchi | InChI=1S/C15H22O/c1-9-4-5-15(3,10(9)2)14-7-12-11(8-16)6-13(12)14/h6,10,12-14,16H,1,4-5,7-8H2,2-3H3/t10-,12+,13-,14-,15+/m0/s1 |
| Smiles | C[C@H]1C(=C)CC[C@@]1(C)[C@H]2C[C@H]3[C@@H]2C=C3CO |
| Xlogp | 2.5 |
| Defined Bond Stereocenter Count | 0.0 |
| Molecular Formula | C15H22O |
- 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