(4aS,11bS)-4,4,7,11b-tetramethyl-1,2,3,4a,5,6-hexahydronaphtho[2,1-f][1]benzofuran
PubChem CID: 101223890
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| Compound Synonyms | CHEMBL5177064 |
|---|---|
| Topological Polar Surface Area | 13.1 |
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 21.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 414.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 2.0 |
| Iupac Name | (4aS,11bS)-4,4,7,11b-tetramethyl-1,2,3,4a,5,6-hexahydronaphtho[2,1-f][1]benzofuran |
| Prediction Hob | 1.0 |
| Xlogp | 6.7 |
| Molecular Formula | C20H26O |
| Prediction Swissadme | 0.0 |
| Inchi Key | QWTSMPKFTJSMFD-AZUAARDMSA-N |
| Fcsp3 | 0.6 |
| Logs | -6.822 |
| Rotatable Bond Count | 0.0 |
| Logd | 4.705 |
| Compound Name | (4aS,11bS)-4,4,7,11b-tetramethyl-1,2,3,4a,5,6-hexahydronaphtho[2,1-f][1]benzofuran |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 282.198 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 282.198 |
| Hydrogen Bond Acceptor Count | 1.0 |
| Molecular Weight | 282.4 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 2.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -6.135490257142856 |
| Inchi | InChI=1S/C20H26O/c1-13-14-6-7-18-19(2,3)9-5-10-20(18,4)16(14)12-17-15(13)8-11-21-17/h8,11-12,18H,5-7,9-10H2,1-4H3/t18-,20+/m0/s1 |
| Smiles | CC1=C2CC[C@@H]3[C@@](C2=CC4=C1C=CO4)(CCCC3(C)C)C |
| Nring | 4.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Eria Tomentosa (Plant) Rel Props:Source_db:cmaup_ingredients - 2. Outgoing r'ship
FOUND_INto/from Eucalyptus Froggattii (Plant) Rel Props:Source_db:cmaup_ingredients - 3. Outgoing r'ship
FOUND_INto/from Pistacia Mexicana (Plant) Rel Props:Source_db:cmaup_ingredients