Ebenfuran V
PubChem CID: 25157569
Connections displayed (default: 10).
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| Compound Synonyms | Ebenfuran V, CHEMBL573879, 1105672-57-8, 2-(2,4-dihydroxyphenyl)-4-hydroxy-5-(3-hydroxy-3-methylbutyl)-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 | 539.0 |
| 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-(3-hydroxy-3-methylbutyl)-6-methoxy-1-benzofuran-3-carbaldehyde |
| Prediction Hob | 1.0 |
| Xlogp | 2.9 |
| Molecular Formula | C21H22O7 |
| Prediction Swissadme | 1.0 |
| Inchi Key | ZEMSUVDWLNHQJQ-UHFFFAOYSA-N |
| Fcsp3 | 0.2857142857142857 |
| Logs | -3.941 |
| Rotatable Bond Count | 6.0 |
| Logd | 2.768 |
| Compound Name | Ebenfuran V |
| Prediction Hob Swissadme | 1.0 |
| Exact Mass | 386.137 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 386.137 |
| Hydrogen Bond Acceptor Count | 7.0 |
| Molecular Weight | 386.4 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -4.069408571428572 |
| Inchi | InChI=1S/C21H22O7/c1-21(2,26)7-6-13-16(27-3)9-17-18(19(13)25)14(10-22)20(28-17)12-5-4-11(23)8-15(12)24/h4-5,8-10,23-26H,6-7H2,1-3H3 |
| Smiles | CC(C)(CCC1=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