Erypoegin F
PubChem CID: 637289
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| Compound Synonyms | Erypoegin F, 2-(2,4-dihydroxyphenyl)-6-methoxy-7-(3-methylbut-2-enyl)-1-benzofuran-3-carbaldehyde, 2-(2,4-Dihydroxy-phenyl)-6-methoxy-7-(3-methyl-but-2-enyl)-benzofuran-3-carbaldehyde, 2-(2,4-dihydroxyphenyl)-6-methoxy-7-(3-methylbut-2-en-1-yl)-1-benzofuran-3-carbaldehyde, 3-benzofurancarboxaldehyde, 2-(2,4-dihydroxyphenyl)-6-methoxy-7-(3-methyl-2-butenyl)-, 3-Formyl-2-(2',4'-dihydroxyphenyl)-6-methoxy-7-(3-methyl-2-butenyl)benzofuran, CHEMBL1096946, 586961-23-1 |
|---|---|
| Topological Polar Surface Area | 79.9 |
| Hydrogen Bond Donor Count | 2.0 |
| Heavy Atom Count | 26.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 515.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 2-(2,4-dihydroxyphenyl)-6-methoxy-7-(3-methylbut-2-enyl)-1-benzofuran-3-carbaldehyde |
| Nih Violation | True |
| Prediction Hob | 1.0 |
| Xlogp | 4.6 |
| Is Pains | False |
| Molecular Formula | C21H20O5 |
| Prediction Swissadme | 0.0 |
| Inchi Key | GBYUYYCUGKCGMM-UHFFFAOYSA-N |
| Fcsp3 | 0.1904761904761904 |
| Rotatable Bond Count | 5.0 |
| Compound Name | Erypoegin F |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 352.131 |
| Formal Charge | 0.0 |
| Brenk Violation | True |
| Monoisotopic Mass | 352.131 |
| Hydrogen Bond Acceptor Count | 5.0 |
| Molecular Weight | 352.4 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -5.044916276923078 |
| Inchi | InChI=1S/C21H20O5/c1-12(2)4-6-16-19(25-3)9-8-14-17(11-22)21(26-20(14)16)15-7-5-13(23)10-18(15)24/h4-5,7-11,23-24H,6H2,1-3H3 |
| Smiles | CC(=CCC1=C(C=CC2=C1OC(=C2C=O)C3=C(C=C(C=C3)O)O)OC)C |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Erythrina Abyssinica (Plant) Rel Props:Source_db:cmaup_ingredients - 2. Outgoing r'ship
FOUND_INto/from Erythrina Poeppigiana (Plant) Rel Props:Source_db:cmaup_ingredients