6H-Benzofuro[3,2-c][1]benzopyran-3,6a,9(11aH)-triol, 9CI
PubChem CID: 4629012
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| Compound Synonyms | 6AS11AS-36A9-TRIHYDROXYPTEROCARPAN, 6H-Benzofuro[3,2-c][1]benzopyran-3,6a,9(11aH)-triol, 9CI |
|---|---|
| Topological Polar Surface Area | 79.2 |
| Hydrogen Bond Donor Count | 3.0 |
| Heavy Atom Count | 20.0 |
| Description | Constituent of soybean seedlings (Glycine max) and kudzu (Pueraria thunbergiana). Glycinol is found in many foods, some of which are scarlet bean, soy bean, gram bean, and pulses. |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 388.0 |
| Database Name | fooddb_chem_all;hmdb_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 6,11a-dihydro-[1]benzofuro[3,2-c]chromene-3,6a,9-triol |
| Nih Violation | False |
| Class | Isoflavonoids |
| Xlogp | 1.2 |
| Superclass | Phenylpropanoids and polyketides |
| Is Pains | False |
| Subclass | Furanoisoflavonoids |
| Molecular Formula | C15H12O5 |
| Inchi Key | QMXOFBXZEKTJIK-UHFFFAOYSA-N |
| Rotatable Bond Count | 0.0 |
| Synonyms | (-)-Glycinol, (6alphaS,11alphaS)-3,6alpha,9-trihydroxypterocarpan, (6aS,11aS)-3,6a,9-Trihydroxypterocarpan, 3,6,9-trihydroxypterocarpan, 6AS11AS-36A9-TRIHYDROXYPTEROCARPAN, 6H-Benzofuro[3,2-c][1]benzopyran-3,6a,9(11aH)-triol, 9CI, Glycinol, (6AlphaS,11alphas)-3,6alpha,9-trihydroxypterocarpan, (6AS,11as)-3,6a,9-trihydroxypterocarpan, 3,6,9-Trihydroxypterocarpan, 6AS11as-36a9-trihydroxypterocarpan, 6H-benzofuro[3,2-c][1]Benzopyran-3,6a,9(11ah)-triol, 9ci |
| Compound Name | 6H-Benzofuro[3,2-c][1]benzopyran-3,6a,9(11aH)-triol, 9CI |
| Kingdom | Organic compounds |
| Exact Mass | 272.068 |
| Formal Charge | 0.0 |
| Brenk Violation | False |
| Monoisotopic Mass | 272.068 |
| Hydrogen Bond Acceptor Count | 5.0 |
| Molecular Weight | 272.25 |
| 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/C15H12O5/c16-8-1-3-10-12(5-8)19-7-15(18)11-4-2-9(17)6-13(11)20-14(10)15/h1-6,14,16-18H,7H2 |
| Smiles | C1C2(C(C3=C(O1)C=C(C=C3)O)OC4=C2C=CC(=C4)O)O |
| 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 - 2. Outgoing r'ship
FOUND_INto/from Phaseolus Coccineus (Plant) Rel Props:Source_db:fooddb_chem_all - 3. Outgoing r'ship
FOUND_INto/from Vigna Mungo (Plant) Rel Props:Source_db:fooddb_chem_all