Ebenfuran Vii
PubChem CID: 25157570
Connections displayed (default: 10).
Loading graph...
| Compound Synonyms | Ebenfuran VII, CHEMBL574550, 1105672-58-9, 2-(2,4-dihydroxyphenyl)-4-hydroxy-5-(2-hydroxy-3-methylbut-3-enyl)-6-methoxy-1-benzofuran-3-carbaldehyde |
|---|---|
| Topological Polar Surface Area | 120.0 |
| Hydrogen Bond Donor Count | 4.0 |
| Heavy Atom Count | 28.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 567.0 |
| Database Name | cmaup_ingredients;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Uniprot Id | P03372 |
| Iupac Name | 2-(2,4-dihydroxyphenyl)-4-hydroxy-5-(2-hydroxy-3-methylbut-3-enyl)-6-methoxy-1-benzofuran-3-carbaldehyde |
| Prediction Hob | 1.0 |
| Xlogp | 3.2 |
| Molecular Formula | C21H20O7 |
| Prediction Swissadme | 0.0 |
| Inchi Key | LFBBNFBRFZEDJG-UHFFFAOYSA-N |
| Fcsp3 | 0.1904761904761904 |
| Logs | -3.92 |
| Rotatable Bond Count | 6.0 |
| Logd | 2.857 |
| Compound Name | Ebenfuran Vii |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 384.121 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 384.121 |
| Hydrogen Bond Acceptor Count | 7.0 |
| Molecular Weight | 384.4 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 1.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -4.2585093714285716 |
| Inchi | InChI=1S/C21H20O7/c1-10(2)15(24)7-13-17(27-3)8-18-19(20(13)26)14(9-22)21(28-18)12-5-4-11(23)6-16(12)25/h4-6,8-9,15,23-26H,1,7H2,2-3H3 |
| Smiles | CC(=C)C(CC1=C(C=C2C(=C1O)C(=C(O2)C3=C(C=C(C=C3)O)O)C=O)OC)O |
| Nring | 3.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Onobrychis Ebenoides (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all