Erypoegin E
PubChem CID: 636548
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| Compound Synonyms | Erypoegin E, 4-(3-methylbut-2-enyl)-6H-[1]benzofuro[3,2-c]chromene-3,9-diol, 4-(3-Methyl-but-2-enyl)-6H-benzo[4,5]furo[3,2-c]chromene-3,9-diol, 4-(3-methylbut-2-en-1-yl)-6H-[1]benzofuro[3,2-c]chromene-3,9-diol, 6H-benzofuro[3,2-c][1]benzopyran-3,9-diol, 4-(3-methyl-2-butenyl)-, 4-(3-methylbut-2-enyl)-6H-(1)benzofuro(3,2-c)chromene-3,9-diol, 4-(3-Methyl-but-2-enyl)-6H-benzo(4,5)furo(3,2-c)chromene-3,9-diol, 4-(3-methylbut-2-en-1-yl)-6H-(1)benzofuro(3,2-c)chromene-3,9-diol, 6H-benzofuro(3,2-c)(1)benzopyran-3,9-diol, 4-(3-methyl-2-butenyl)-, 3,9-Dihydroxy-4-(gamma,gamma-dimethylallyl)pterocarpene, 474816-84-7 |
|---|---|
| Topological Polar Surface Area | 62.8 |
| Hydrogen Bond Donor Count | 2.0 |
| Heavy Atom Count | 24.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 486.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 4-(3-methylbut-2-enyl)-6H-[1]benzofuro[3,2-c]chromene-3,9-diol |
| Prediction Hob | 1.0 |
| Xlogp | 4.7 |
| Molecular Formula | C20H18O4 |
| Prediction Swissadme | 0.0 |
| Inchi Key | VREXGHBHPUSDKC-UHFFFAOYSA-N |
| Fcsp3 | 0.2 |
| Logs | -3.48 |
| Rotatable Bond Count | 2.0 |
| Logd | 4.055 |
| Compound Name | Erypoegin E |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 322.121 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 322.121 |
| Hydrogen Bond Acceptor Count | 4.0 |
| Molecular Weight | 322.4 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -5.161632000000001 |
| Inchi | InChI=1S/C20H18O4/c1-11(2)3-5-14-17(22)8-7-15-19(14)23-10-16-13-6-4-12(21)9-18(13)24-20(15)16/h3-4,6-9,21-22H,5,10H2,1-2H3 |
| Smiles | CC(=CCC1=C(C=CC2=C1OCC3=C2OC4=C3C=CC(=C4)O)O)C |
| Nring | 4.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Erythrina Poeppigiana (Plant) Rel Props:Source_db:cmaup_ingredients