(1R,2S,4aS,8aS)-1,6-dimethyl-4-prop-1-en-2-yl-1,2,4a,7,8,8a-hexahydronaphthalen-2-ol
PubChem CID: 162899612
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 | PWXZKALLXDXZPK-QHSBEEBCSA-N |
| Fcsp3 | 0.6 |
| Rotatable Bond Count | 1.0 |
| Heavy Atom Count | 16.0 |
| Compound Name | (1R,2S,4aS,8aS)-1,6-dimethyl-4-prop-1-en-2-yl-1,2,4a,7,8,8a-hexahydronaphthalen-2-ol |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 218.167 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 218.167 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 362.0 |
| Hydrogen Bond Acceptor Count | 1.0 |
| Molecular Weight | 218.33 |
| Database Name | cmaup_ingredients;pubchem |
| Covalent Unit Count | 1.0 |
| Defined Atom Stereocenter Count | 4.0 |
| Iupac Name | (1R,2S,4aS,8aS)-1,6-dimethyl-4-prop-1-en-2-yl-1,2,4a,7,8,8a-hexahydronaphthalen-2-ol |
| Total Atom Stereocenter Count | 4.0 |
| Total Bond Stereocenter Count | 0.0 |
| Prediction Hob | 0.0 |
| Esol | -3.2571079999999997 |
| Inchi | InChI=1S/C15H22O/c1-9(2)13-8-15(16)11(4)12-6-5-10(3)7-14(12)13/h7-8,11-12,14-16H,1,5-6H2,2-4H3/t11-,12-,14-,15-/m1/s1 |
| Smiles | C[C@@H]1[C@H]2CCC(=C[C@H]2C(=C[C@H]1O)C(=C)C)C |
| Xlogp | 3.4 |
| Defined Bond Stereocenter Count | 0.0 |
| Molecular Formula | C15H22O |
- 1. Outgoing r'ship
FOUND_INto/from Consolida Pubescens (Plant) Rel Props:Source_db:cmaup_ingredients - 2. Outgoing r'ship
FOUND_INto/from Helenium Aromaticum (Plant) Rel Props:Source_db:cmaup_ingredients - 3. Outgoing r'ship
FOUND_INto/from Morinda Tinctoria (Plant) Rel Props:Source_db:cmaup_ingredients