Stemofuran G
PubChem CID: 11748527
Connections displayed (default: 10).
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| Compound Synonyms | STEMOFURAN G, CHEMBL513458, 2-(3-hydroxy-5-methoxy-2,4-dimethylphenyl)-5-methyl-1-benzofuran-4-ol, 439900-89-7 |
|---|---|
| Topological Polar Surface Area | 62.8 |
| Hydrogen Bond Donor Count | 2.0 |
| Heavy Atom Count | 22.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 387.0 |
| Database Name | cmaup_ingredients;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 2-(3-hydroxy-5-methoxy-2,4-dimethylphenyl)-5-methyl-1-benzofuran-4-ol |
| Prediction Hob | 1.0 |
| Xlogp | 4.3 |
| Molecular Formula | C18H18O4 |
| Prediction Swissadme | 0.0 |
| Inchi Key | RWBWMAOKPGSLMN-UHFFFAOYSA-N |
| Fcsp3 | 0.2222222222222222 |
| Logs | -4.661 |
| Rotatable Bond Count | 2.0 |
| Logd | 3.069 |
| Compound Name | Stemofuran G |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 298.121 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 298.121 |
| Hydrogen Bond Acceptor Count | 4.0 |
| Molecular Weight | 298.3 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -4.796441054545455 |
| Inchi | InChI=1S/C18H18O4/c1-9-5-6-14-13(17(9)19)8-16(22-14)12-7-15(21-4)11(3)18(20)10(12)2/h5-8,19-20H,1-4H3 |
| Smiles | CC1=C(C2=C(C=C1)OC(=C2)C3=CC(=C(C(=C3C)O)C)OC)O |
| Nring | 3.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Stemona Collinsae (Plant) Rel Props:Source_db:npass_chem_all - 2. Outgoing r'ship
FOUND_INto/from Stemona Sessilifolia (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all