(+)-Menthofuran
PubChem CID: 442478
Connections displayed (default: 10).
Loading graph...
| Compound Synonyms | (+)-Menthofuran, 17957-94-7, Menthofuran, (+)-, (6R)-3,6-dimethyl-4,5,6,7-tetrahydro-1-benzofuran, (R)-Menthofuran, UNII-9N0IS8189W, (+)-3,9-Epoxy-p-mentha-3,8-diene, CHEBI:6750, (R)-3,6-Dimethyl-4,5,6,7-tetrahydrobenzofuran, 9N0IS8189W, p-Mentha-3,8-diene, 3,9-epoxy-, (+)-, Benzofuran, 4,5,6,7-tetrahydro-3,6-dimethyl-, (R)-, CHEMBL3526658, (R)-(+)-Menthofuran (>85%), (R)-(+)-Menthofuran, FEMA No. 3235, (6R)-4,5,6,7-Tetrahydro-3,6-dimethylbenzofuran, (+)-Menthofuran, (6R)-3,6-Dimethyl-4,5,6,7-tetrahydro-1-benzofuran, (R)-3,6-Dimethyl-4,5,6,7-tetrahydrobenzofuran, (R)-Menthofuran, (+)-MENTHOFURAN?, 4,5,6,7-TETRAHYDRO-3,6-DIMETHYLBENZOFURAN [FHFI], SCHEMBL113711, BDBM50101991, (+)-Menthofuran, analytical standard, AKOS040735534, LMPR0102090020, FD144426, (1r)-3,9-epoxy-3,8(9)-p-menthadiene, HY-128706, (+)-Menthofuran, technical, >=90% (GC), CS-0098966, C18025, Q27107323, (+)-Menthofuran, primary pharmaceutical reference standard, BENZOFURAN, 4,5,6,7-TETRAHYDRO-3,6-DIMETHYL-, (6R)- |
|---|---|
| Topological Polar Surface Area | 13.1 |
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 11.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 144.0 |
| Database Name | cmaup_ingredients;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 1.0 |
| Uniprot Id | P11509, Q16696 |
| Iupac Name | (6R)-3,6-dimethyl-4,5,6,7-tetrahydro-1-benzofuran |
| Prediction Hob | 1.0 |
| Target Id | NPT240, NPT2599 |
| Xlogp | 3.0 |
| Molecular Formula | C10H14O |
| Prediction Swissadme | 0.0 |
| Inchi Key | YGWKXXYGDYYFJU-SSDOTTSWSA-N |
| Fcsp3 | 0.6 |
| Logs | -3.617 |
| Rotatable Bond Count | 0.0 |
| Logd | 3.839 |
| Compound Name | (+)-Menthofuran |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 150.104 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 150.104 |
| Hydrogen Bond Acceptor Count | 1.0 |
| Molecular Weight | 150.22 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 1.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -3.0103338363636363 |
| Inchi | InChI=1S/C10H14O/c1-7-3-4-9-8(2)6-11-10(9)5-7/h6-7H,3-5H2,1-2H3/t7-/m1/s1 |
| Smiles | C[C@@H]1CCC2=C(C1)OC=C2C |
| Nring | 2.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Curcuma Longa (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 2. Outgoing r'ship
FOUND_INto/from Schizonepeta Tenuifolia (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 3. Outgoing r'ship
FOUND_INto/from Schizonepeta Tenuisfolia (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all