(8S)-1,5,8-Trimethyl-8,9-dihydronaphtho[2,1-b]furan-6(7H)-one
PubChem CID: 71349601
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| Compound Synonyms | DTXSID20775445, (8S)-1,5,8-Trimethyl-8,9-dihydronaphtho[2,1-b]furan-6(7H)-one |
|---|---|
| Topological Polar Surface Area | 30.2 |
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 17.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 325.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 1.0 |
| Iupac Name | (8S)-1,5,8-trimethyl-8,9-dihydro-7H-benzo[e][1]benzofuran-6-one |
| Prediction Hob | 1.0 |
| Xlogp | 3.6 |
| Molecular Formula | C15H16O2 |
| Prediction Swissadme | 0.0 |
| Inchi Key | SHEOKDCVBGTHJG-QMMMGPOBSA-N |
| Fcsp3 | 0.4 |
| Logs | -5.864 |
| Rotatable Bond Count | 0.0 |
| Logd | 3.909 |
| Compound Name | (8S)-1,5,8-Trimethyl-8,9-dihydronaphtho[2,1-b]furan-6(7H)-one |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 228.115 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 228.115 |
| Hydrogen Bond Acceptor Count | 2.0 |
| Molecular Weight | 228.29 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 1.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -3.9088689058823523 |
| Inchi | InChI=1S/C15H16O2/c1-8-4-11-14(12(16)5-8)9(2)6-13-15(11)10(3)7-17-13/h6-8H,4-5H2,1-3H3/t8-/m0/s1 |
| Smiles | C[C@H]1CC2=C(C(=CC3=C2C(=CO3)C)C)C(=O)C1 |
| Nring | 3.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Angelica Genuflexa (Plant) Rel Props:Source_db:cmaup_ingredients - 2. Outgoing r'ship
FOUND_INto/from Dictamnus Angustifolius (Plant) Rel Props:Source_db:cmaup_ingredients - 3. Outgoing r'ship
FOUND_INto/from Lophophora Williamsii (Plant) Rel Props:Source_db:cmaup_ingredients - 4. Outgoing r'ship
FOUND_INto/from Ophiopogon Intermedius (Plant) Rel Props:Source_db:cmaup_ingredients - 5. Outgoing r'ship
FOUND_INto/from Porophyllum Ruderale (Plant) Rel Props:Source_db:cmaup_ingredients - 6. Outgoing r'ship
FOUND_INto/from Ruta Chalepensis (Plant) Rel Props:Source_db:cmaup_ingredients - 7. Outgoing r'ship
FOUND_INto/from Traversia Baccharoides (Plant) Rel Props:Source_db:cmaup_ingredients