Stemofuran B
PubChem CID: 641364
Connections displayed (default: 10).
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| Compound Synonyms | Gnetifolin M, 439900-84-2, STEMOFURAN B, 2-(3-hydroxy-5-methoxyphenyl)-1-benzofuran-4-ol, 4-benzofuranol, 2-(3-hydroxy-5-methoxyphenyl)-, CHEMBL511197, HY-N10779, AKOS040734903, FS-7753, DA-73831, CS-0636026 |
|---|---|
| Topological Polar Surface Area | 62.8 |
| Hydrogen Bond Donor Count | 2.0 |
| Heavy Atom Count | 19.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 309.0 |
| Database Name | cmaup_ingredients;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 2-(3-hydroxy-5-methoxyphenyl)-1-benzofuran-4-ol |
| Prediction Hob | 1.0 |
| Xlogp | 3.2 |
| Molecular Formula | C15H12O4 |
| Prediction Swissadme | 0.0 |
| Inchi Key | LNYJPSJEXBTRPO-UHFFFAOYSA-N |
| Fcsp3 | 0.0666666666666666 |
| Logs | -3.699 |
| Rotatable Bond Count | 2.0 |
| Logd | 3.191 |
| Compound Name | Stemofuran B |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 256.074 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 256.074 |
| Hydrogen Bond Acceptor Count | 4.0 |
| Molecular Weight | 256.25 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -3.9285039263157886 |
| Inchi | InChI=1S/C15H12O4/c1-18-11-6-9(5-10(16)7-11)15-8-12-13(17)3-2-4-14(12)19-15/h2-8,16-17H,1H3 |
| Smiles | COC1=CC(=CC(=C1)O)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