Stemofuran D
PubChem CID: 641366
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| Compound Synonyms | STEMOFURAN D, 4-benzofuranol, 2-(3-hydroxy-5-methoxy-2-methylphenyl)-, 2-(3-hydroxy-5-methoxy-2-methylphenyl)-1-benzofuran-4-ol, CHEMBL464901, 439900-86-4 |
|---|---|
| Topological Polar Surface Area | 62.8 |
| Hydrogen Bond Donor Count | 2.0 |
| Heavy Atom Count | 20.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 334.0 |
| Database Name | cmaup_ingredients;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 2-(3-hydroxy-5-methoxy-2-methylphenyl)-1-benzofuran-4-ol |
| Prediction Hob | 1.0 |
| Xlogp | 3.6 |
| Molecular Formula | C16H14O4 |
| Prediction Swissadme | 0.0 |
| Inchi Key | GUQBHRSHFCOITG-UHFFFAOYSA-N |
| Fcsp3 | 0.125 |
| Logs | -3.97 |
| Rotatable Bond Count | 2.0 |
| Logd | 3.35 |
| Compound Name | Stemofuran D |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 270.089 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 270.089 |
| Hydrogen Bond Acceptor Count | 4.0 |
| Molecular Weight | 270.28 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -4.213060799999999 |
| Inchi | InChI=1S/C16H14O4/c1-9-11(6-10(19-2)7-14(9)18)16-8-12-13(17)4-3-5-15(12)20-16/h3-8,17-18H,1-2H3 |
| Smiles | CC1=C(C=C(C=C1O)OC)C2=CC3=C(C=CC=C3O2)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