Glyceollidin II
PubChem CID: 85206973
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| Compound Synonyms | glyceollidin II, 2-(3-Methyl-2-butenyl)-6H-benzofuro[3,2-c][1]benzopyran-3,6a,9(11aH)-triol, 9CI, 2-(3-Methyl-2-butenyl)-6H-benzofuro(3,2-c)(1)benzopyran-3,6a,9(11ah)-triol, 9ci, 2-(3-methylbut-2-enyl)-6,11a-dihydro-(1)benzofuro(3,2-c)chromene-3,6a,9-triol, 2-(3-methylbut-2-enyl)-6,11a-dihydro-[1]benzofuro[3,2-c]chromene-3,6a,9-triol, CHEBI:174573, 2-(3-methylbut-2-enyl)-6,11a-dihydro-[1]benzouro[3,2-c]chromene-3,6a,9-triol |
|---|---|
| Topological Polar Surface Area | 79.2 |
| Hydrogen Bond Donor Count | 3.0 |
| Heavy Atom Count | 25.0 |
| Description | Phytoalexin from Glycine max (soybean). Glyceollidin II is found in soy bean, fats and oils, and pulses. |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 530.0 |
| Database Name | fooddb_chem_all;hmdb_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 2-(3-methylbut-2-enyl)-6,11a-dihydro-[1]benzofuro[3,2-c]chromene-3,6a,9-triol |
| Nih Violation | False |
| Class | Isoflavonoids |
| Xlogp | 3.1 |
| Superclass | Phenylpropanoids and polyketides |
| Is Pains | False |
| Subclass | Furanoisoflavonoids |
| Molecular Formula | C20H20O5 |
| Inchi Key | TUXXPRXOVFCNPC-UHFFFAOYSA-N |
| Rotatable Bond Count | 2.0 |
| Synonyms | 2-(3-Methyl-2-butenyl)-6H-benzofuro[3,2-c][1]benzopyran-3,6a,9(11aH)-triol, 9CI, Glyceocarpin, Glyceollidin II, 2-(3-Methyl-2-butenyl)-6H-benzofuro[3,2-c][1]benzopyran-3,6a,9(11ah)-triol, 9ci |
| Compound Name | Glyceollidin II |
| Kingdom | Organic compounds |
| Exact Mass | 340.131 |
| Formal Charge | 0.0 |
| Brenk Violation | True |
| Monoisotopic Mass | 340.131 |
| Hydrogen Bond Acceptor Count | 5.0 |
| Molecular Weight | 340.4 |
| 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/C20H20O5/c1-11(2)3-4-12-7-14-17(9-16(12)22)24-10-20(23)15-6-5-13(21)8-18(15)25-19(14)20/h3,5-9,19,21-23H,4,10H2,1-2H3 |
| Smiles | CC(=CCC1=CC2=C(C=C1O)OCC3(C2OC4=C3C=CC(=C4)O)O)C |
| Defined Bond Stereocenter Count | 0.0 |
| Taxonomy Direct Parent | Pterocarpans |
- 1. Outgoing r'ship
FOUND_INto/from Glycine Max (Plant) Rel Props:Source_db:fooddb_chem_all