Ebenfuran Vi
PubChem CID: 25157567
Connections displayed (default: 10).
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| Compound Synonyms | Ebenfuran VI, CHEMBL578016, 4-hydroxy-2-(4-hydroxy-2-methoxyphenyl)-5-(3-hydroxy-3-methylbutyl)-6-methoxy-1-benzofuran-3-carbaldehyde |
|---|---|
| Topological Polar Surface Area | 109.0 |
| Hydrogen Bond Donor Count | 3.0 |
| Heavy Atom Count | 29.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 553.0 |
| 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)-5-(3-hydroxy-3-methylbutyl)-6-methoxy-1-benzofuran-3-carbaldehyde |
| Prediction Hob | 1.0 |
| Xlogp | 3.2 |
| Molecular Formula | C22H24O7 |
| Prediction Swissadme | 1.0 |
| Inchi Key | DVCUSBGWKAJHOB-UHFFFAOYSA-N |
| Fcsp3 | 0.3181818181818182 |
| Logs | -4.189 |
| Rotatable Bond Count | 7.0 |
| Logd | 2.874 |
| Compound Name | Ebenfuran Vi |
| Prediction Hob Swissadme | 1.0 |
| Exact Mass | 400.152 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 400.152 |
| Hydrogen Bond Acceptor Count | 7.0 |
| Molecular Weight | 400.4 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -4.278306020689656 |
| Inchi | InChI=1S/C22H24O7/c1-22(2,26)8-7-13-17(28-4)10-18-19(20(13)25)15(11-23)21(29-18)14-6-5-12(24)9-16(14)27-3/h5-6,9-11,24-26H,7-8H2,1-4H3 |
| Smiles | CC(C)(CCC1=C(C=C2C(=C1O)C(=C(O2)C3=C(C=C(C=C3)O)OC)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