6H-Benzofuro(3,2-c)(1)benzopyran-3,9-diol, 6a,11a-dihydro-4,10-bis(3-methyl-2-butenyl)-, (6aR,11aR-cis)-
PubChem CID: 362562
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| Compound Synonyms | Erybraedin A, 119269-76-0, Erybraedin, NSC 626645, NSC626645, 4,10-bis(3-methylbut-2-enyl)-6a,11a-dihydro-6H-[1]benzofuro[3,2-c]chromene-3,9-diol, 6H-Benzofuro(3,2-c)(1)benzopyran-3,9-diol, 6a,11a-dihydro-4,10-bis(3-methyl-2-butenyl)-, (6aR,11aR-cis)-, (6aR,11aR)-3,9-Dihydroxy-4,10-diprenylpterocarpan, CHEMBL1984704, DTXSID40922914, LMPK12070044, NSC-626645, NCI60_008428, XE161736, 3,9-Dihydroxy-4,10-diprenylpterocarpan, 4-prenylphaseollidin, Erybraedin A, 4,10-bis(3-methylbut-2-enyl)-6a,11a-dihydro-6H-benzofuro[3,2-c]chromene-3,9-diol, 4,10-Bis(3-methylbut-2-en-1-yl)-6a,11a-dihydro-6H-[1]benzofuro[3,2-c][1]benzopyran-3,9-diol, 6a,11a-Dihydro-4,10-bis(3-methyl-2-butenyl)-6H-benzofuro[3,2-c][1]benzopyran-3,9-diol, 9CI, 6H-Benzofuro[3,2-c][1]benzopyran-3,9-diol, 6a,11a-dihydro-4,10-bis(3-methyl-2-butenyl)-, (6aR, 11aR-cis)- |
|---|---|
| Topological Polar Surface Area | 58.9 |
| Hydrogen Bond Donor Count | 2.0 |
| Heavy Atom Count | 29.0 |
| Description | Isolated from Phaseolus lunatus (butter bean). Erybraedin A is found in pulses and lima bean. |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 633.0 |
| Database Name | fooddb_chem_all;hmdb_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 4,10-bis(3-methylbut-2-enyl)-6a,11a-dihydro-6H-[1]benzofuro[3,2-c]chromene-3,9-diol |
| Nih Violation | False |
| Class | Isoflavonoids |
| Xlogp | 6.1 |
| Superclass | Phenylpropanoids and polyketides |
| Is Pains | False |
| Subclass | Furanoisoflavonoids |
| Molecular Formula | C25H28O4 |
| Inchi Key | HOGHBEDTLGAJAS-UHFFFAOYSA-N |
| Rotatable Bond Count | 4.0 |
| State | Solid |
| Synonyms | (6aR,11aR)-3,9-Dihydroxy-4,10-diprenylpterocarpan, 4-Prenylphaseollidin, 6a,11a-Dihydro-4,10-bis(3-methyl-2-butenyl)-6H-benzofuro[3,2-c][1]benzopyran-3,9-diol, 9CI, Erybraedin A, (6AR,11ar)-3,9-dihydroxy-4,10-diprenylpterocarpan, 6a,11a-dihydro-4,10-Bis(3-methyl-2-butenyl)-6H-benzofuro[3,2-c][1]benzopyran-3,9-diol, 9ci |
| Compound Name | 6H-Benzofuro(3,2-c)(1)benzopyran-3,9-diol, 6a,11a-dihydro-4,10-bis(3-methyl-2-butenyl)-, (6aR,11aR-cis)- |
| Kingdom | Organic compounds |
| Exact Mass | 392.199 |
| Formal Charge | 0.0 |
| Brenk Violation | True |
| Monoisotopic Mass | 392.199 |
| Hydrogen Bond Acceptor Count | 4.0 |
| Molecular Weight | 392.5 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 2.0 |
| Total Bond Stereocenter Count | 0.0 |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Inchi | InChI=1S/C25H28O4/c1-14(2)5-7-17-21(26)12-10-19-23(17)28-13-20-16-9-11-22(27)18(8-6-15(3)4)24(16)29-25(19)20/h5-6,9-12,20,25-27H,7-8,13H2,1-4H3 |
| Smiles | CC(=CCC1=C(C=CC2=C1OC3C2COC4=C3C=CC(=C4CC=C(C)C)O)O)C |
| Defined Bond Stereocenter Count | 0.0 |
| Taxonomy Direct Parent | Pterocarpans |
- 1. Outgoing r'ship
FOUND_INto/from Phaseolus Lunatus (Plant) Rel Props:Source_db:fooddb_chem_all