(1S,3aS,7R,8aS)-1-methyl-4-methylidene-7-prop-1-en-2-yl-1,2,3,5,6,7,8,8a-octahydroazulen-3a-ol
PubChem CID: 11746162
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 | AAKQHTLAXTYKFW-PMOUVXMZSA-N |
| Fcsp3 | 0.7333333333333333 |
| Rotatable Bond Count | 1.0 |
| Heavy Atom Count | 16.0 |
| Compound Name | (1S,3aS,7R,8aS)-1-methyl-4-methylidene-7-prop-1-en-2-yl-1,2,3,5,6,7,8,8a-octahydroazulen-3a-ol |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 220.183 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 220.183 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 317.0 |
| Hydrogen Bond Acceptor Count | 1.0 |
| Molecular Weight | 220.35 |
| Database Name | cmaup_ingredients;pubchem |
| Covalent Unit Count | 1.0 |
| Defined Atom Stereocenter Count | 4.0 |
| Iupac Name | (1S,3aS,7R,8aS)-1-methyl-4-methylidene-7-prop-1-en-2-yl-1,2,3,5,6,7,8,8a-octahydroazulen-3a-ol |
| Total Atom Stereocenter Count | 4.0 |
| Total Bond Stereocenter Count | 0.0 |
| Prediction Hob | 0.0 |
| Esol | -3.4460072 |
| Inchi | InChI=1S/C15H24O/c1-10(2)13-6-5-12(4)15(16)8-7-11(3)14(15)9-13/h11,13-14,16H,1,4-9H2,2-3H3/t11-,13+,14-,15+/m0/s1 |
| Smiles | C[C@H]1CC[C@@]2([C@H]1C[C@@H](CCC2=C)C(=C)C)O |
| Xlogp | 3.7 |
| Defined Bond Stereocenter Count | 0.0 |
| Molecular Formula | C15H24O |
- 1. Outgoing r'ship
FOUND_INto/from Pogostemon Cablin (Plant) Rel Props:Source_db:cmaup_ingredients