Ligudentatol
PubChem CID: 11009001
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| Compound Synonyms | Ligudentatol, (7R)-1-methyl-7-prop-1-en-2-yl-5,6,7,8-tetrahydronaphthalen-2-ol, CHEMBL4205932, 130848-29-2 |
|---|---|
| Topological Polar Surface Area | 20.2 |
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 15.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 246.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 1.0 |
| Iupac Name | (7R)-1-methyl-7-prop-1-en-2-yl-5,6,7,8-tetrahydronaphthalen-2-ol |
| Prediction Hob | 1.0 |
| Xlogp | 4.3 |
| Molecular Formula | C14H18O |
| Prediction Swissadme | 1.0 |
| Inchi Key | BVEBOMULMBWPIS-GFCCVEGCSA-N |
| Fcsp3 | 0.4285714285714285 |
| Logs | -3.898 |
| Rotatable Bond Count | 1.0 |
| Logd | 3.453 |
| Compound Name | Ligudentatol |
| Prediction Hob Swissadme | 1.0 |
| Exact Mass | 202.136 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 202.136 |
| Hydrogen Bond Acceptor Count | 1.0 |
| Molecular Weight | 202.29 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 1.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -4.0269414 |
| Inchi | InChI=1S/C14H18O/c1-9(2)12-5-4-11-6-7-14(15)10(3)13(11)8-12/h6-7,12,15H,1,4-5,8H2,2-3H3/t12-/m1/s1 |
| Smiles | CC1=C(C=CC2=C1C[C@@H](CC2)C(=C)C)O |
| Nring | 2.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Gentiana Lutea (Plant) Rel Props:Source_db:cmaup_ingredients - 2. Outgoing r'ship
FOUND_INto/from Sinomenium Acutum (Plant) Rel Props:Source_db:cmaup_ingredients - 3. Outgoing r'ship
FOUND_INto/from Viscum Multinerve (Plant) Rel Props:Source_db:cmaup_ingredients