Eryvarin F
PubChem CID: 637295
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| Compound Synonyms | Eryvarin F, 3-(2,4-dihydroxyphenoxy)-7-hydroxy-6,8-bis(3-methylbut-2-enyl)chromen-4-one, 3-(2,4-dihydroxyphenoxy)-7-hydroxy-6,8-di(3,3-dimethylallyl)chromen-4-one, 3-(2,4-Dihydroxy-phenoxy)-7-hydroxy-6,8-bis-(3-methyl-but-2-enyl)-chromen-4-one, 3-(2,4-dihydroxyphenoxy)-7-hydroxy-6,8-bis(3-methylbut-2-en-1-yl)-4H-chromen-4-one, 4H-1-benzopyran-4-one, 3-(2,4-dihydroxyphenoxy)-7-hydroxy-6,8-bis(3-methyl-2-butenyl)-, 3-(2,4-dihydroxyphenoxy)-7-hydroxy-6,8-di(3,3-dimethylallyl)chromen-4-on, 568564-59-0 |
|---|---|
| Topological Polar Surface Area | 96.2 |
| Hydrogen Bond Donor Count | 3.0 |
| Heavy Atom Count | 31.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 730.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 3-(2,4-dihydroxyphenoxy)-7-hydroxy-6,8-bis(3-methylbut-2-enyl)chromen-4-one |
| Prediction Hob | 1.0 |
| Xlogp | 6.1 |
| Molecular Formula | C25H26O6 |
| Prediction Swissadme | 0.0 |
| Inchi Key | JHEJXUTWJYYRFP-UHFFFAOYSA-N |
| Fcsp3 | 0.24 |
| Logs | -3.083 |
| Rotatable Bond Count | 6.0 |
| Logd | 3.391 |
| Compound Name | Eryvarin F |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 422.173 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 422.173 |
| Hydrogen Bond Acceptor Count | 6.0 |
| Molecular Weight | 422.5 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -5.563792883870969 |
| Inchi | InChI=1S/C25H26O6/c1-14(2)5-7-16-11-19-24(29)22(31-21-10-8-17(26)12-20(21)27)13-30-25(19)18(23(16)28)9-6-15(3)4/h5-6,8,10-13,26-28H,7,9H2,1-4H3 |
| Smiles | CC(=CCC1=CC2=C(C(=C1O)CC=C(C)C)OC=C(C2=O)OC3=C(C=C(C=C3)O)O)C |
| Nring | 3.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Erythrina Variegata (Plant) Rel Props:Source_db:cmaup_ingredients