Ebenfuran Iv
PubChem CID: 25157566
Connections displayed (default: 10).
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| Compound Synonyms | Ebenfuran IV, CHEMBL578015, 4-hydroxy-2-(4-hydroxy-2-methoxyphenyl)-6-methoxy-5-(3-methylbut-2-enyl)-1-benzofuran-3-carbaldehyde |
|---|---|
| Topological Polar Surface Area | 89.1 |
| Hydrogen Bond Donor Count | 2.0 |
| Heavy Atom Count | 28.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 559.0 |
| Database Name | cmaup_ingredients;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Uniprot Id | P03372 |
| Iupac Name | 4-hydroxy-2-(4-hydroxy-2-methoxyphenyl)-6-methoxy-5-(3-methylbut-2-enyl)-1-benzofuran-3-carbaldehyde |
| Prediction Hob | 1.0 |
| Xlogp | 4.6 |
| Molecular Formula | C22H22O6 |
| Prediction Swissadme | 0.0 |
| Inchi Key | SQWIGJZIQFBGQM-UHFFFAOYSA-N |
| Fcsp3 | 0.2272727272727272 |
| Logs | -4.381 |
| Rotatable Bond Count | 6.0 |
| Logd | 3.558 |
| Compound Name | Ebenfuran Iv |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 382.142 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 382.142 |
| Hydrogen Bond Acceptor Count | 6.0 |
| Molecular Weight | 382.4 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -5.115682971428573 |
| Inchi | InChI=1S/C22H22O6/c1-12(2)5-7-14-18(27-4)10-19-20(21(14)25)16(11-23)22(28-19)15-8-6-13(24)9-17(15)26-3/h5-6,8-11,24-25H,7H2,1-4H3 |
| Smiles | CC(=CCC1=C(C=C2C(=C1O)C(=C(O2)C3=C(C=C(C=C3)O)OC)C=O)OC)C |
| 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