glyceollidin I
PubChem CID: 44257483
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| Compound Synonyms | glyceollidin I, 3,6a,9-Trihydroxy-4-prenylpterocarpan, CHEBI:174569, LMPK12070116, 4-(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 I is found in soy bean 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 | 4-(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 | NLHMQOCIFRDSNU-UHFFFAOYSA-N |
| Rotatable Bond Count | 2.0 |
| Synonyms | Glyceollidin I |
| Compound Name | glyceollidin I |
| 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 |
| Inchi | InChI=1S/C20H20O5/c1-11(2)3-5-13-16(22)8-6-14-18(13)24-10-20(23)15-7-4-12(21)9-17(15)25-19(14)20/h3-4,6-9,19,21-23H,5,10H2,1-2H3 |
| Smiles | CC(=CCC1=C(C=CC2=C1OCC3(C2OC4=C3C=CC(=C4)O)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