(5S,8R)-8-methoxy-3,4,5-trimethyl-5,6,7,8-tetrahydrobenzo[f][1]benzofuran
PubChem CID: 14237585
Connections displayed (default: 10).
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| Topological Polar Surface Area | 22.4 |
|---|---|
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 18.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 303.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 2.0 |
| Iupac Name | (5S,8R)-8-methoxy-3,4,5-trimethyl-5,6,7,8-tetrahydrobenzo[f][1]benzofuran |
| Prediction Hob | 1.0 |
| Xlogp | 3.8 |
| Molecular Formula | C16H20O2 |
| Prediction Swissadme | 1.0 |
| Inchi Key | JEUYDTPWGDAPMX-TVQRCGJNSA-N |
| Fcsp3 | 0.5 |
| Logs | -5.271 |
| Rotatable Bond Count | 1.0 |
| Logd | 3.75 |
| Compound Name | (5S,8R)-8-methoxy-3,4,5-trimethyl-5,6,7,8-tetrahydrobenzo[f][1]benzofuran |
| Prediction Hob Swissadme | 1.0 |
| Exact Mass | 244.146 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 244.146 |
| Hydrogen Bond Acceptor Count | 2.0 |
| Molecular Weight | 244.33 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 2.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -4.0654708 |
| Inchi | InChI=1S/C16H20O2/c1-9-5-6-13(17-4)12-7-14-16(10(2)8-18-14)11(3)15(9)12/h7-9,13H,5-6H2,1-4H3/t9-,13+/m0/s1 |
| Smiles | C[C@H]1CC[C@H](C2=CC3=C(C(=CO3)C)C(=C12)C)OC |
| Nring | 3.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Clausena Lenis (Plant) Rel Props:Source_db:cmaup_ingredients - 2. Outgoing r'ship
FOUND_INto/from Echinopsis Spachiana (Plant) Rel Props:Source_db:cmaup_ingredients - 3. Outgoing r'ship
FOUND_INto/from Launaea Arborescens (Plant) Rel Props:Source_db:cmaup_ingredients - 4. Outgoing r'ship
FOUND_INto/from Macrotomia Ugamensis (Plant) Rel Props:Source_db:cmaup_ingredients - 5. Outgoing r'ship
FOUND_INto/from Piptanthus Mongolicus (Plant) Rel Props:Source_db:cmaup_ingredients - 6. Outgoing r'ship
FOUND_INto/from Piptanthus Nepalensis (Plant) Rel Props:Source_db:cmaup_ingredients - 7. Outgoing r'ship
FOUND_INto/from Reichardia Gaditana (Plant) Rel Props:Source_db:cmaup_ingredients