Sissotrine
PubChem CID: 5358913
Connections displayed (default: 10).
Loading graph...
| Compound Synonyms | Sissotrine, BIOCHANIN A 7-O-B-D-GLUCOPYRANOSIDE, 4H-1-Benzopyran-4-one,7-(b-D-glucopyranosyloxy)-5-hydroxy-3-(4-methoxyphenyl)-, biochanin A-7-O-glucoside, NSC-289565, Biochanin-7-O-glucoside, Oprea1_163414, MLS001360570, CHEMBL1405026, SCHEMBL21013018, DTXSID50974707, HMS3047F05, Biochanin A-7-O-beta-D-glucoside, NSC289565, AKOS004110725, NCGC00017268-02, NCGC00142382-01, 5-hydroxy-3-(4-methoxyphenyl)-7-[3,4,5-trihydroxy-6-(hydroxymethyl)(2H-3,4,5,6 -tetrahydropyran-2-yloxy)]chromen-4-one, 5-hydroxy-3-(4-methoxyphenyl)-7-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-4-one, SMR001223779, 5-Hydroxy-3-(4-methoxyphenyl)-4-oxo-4H-1-benzopyran-7-yl hexopyranoside |
|---|---|
| Topological Polar Surface Area | 155.0 |
| Hydrogen Bond Donor Count | 5.0 |
| Heavy Atom Count | 32.0 |
| Description | Constituent of Cicer arietinum (chickpea). Biochanin A 7-glucoside is found in chickpea. |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 690.0 |
| Database Name | fooddb_chem_all;hmdb_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 5-hydroxy-3-(4-methoxyphenyl)-7-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-4-one |
| Nih Violation | False |
| Class | Isoflavonoids |
| Xlogp | 1.2 |
| Superclass | Phenylpropanoids and polyketides |
| Is Pains | False |
| Subclass | Isoflavonoid O-glycosides |
| Molecular Formula | C22H22O10 |
| Inchi Key | LFEUICHQZGNOHD-UHFFFAOYSA-N |
| Rotatable Bond Count | 5.0 |
| State | Solid |
| Synonyms | Astroside, Biochanin A 7-glucoside, BIOCHANIN a 7-O-b-D-glucopyranoside, Biochanin A 7-O-beta-D-glucoside, Biochanin a-7-O-beta-D-glucoside, Biochanin a-7-O-glucoside, Sissotrin, Biochanin a 7-O-beta-D-glucoside |
| Compound Name | Sissotrine |
| Kingdom | Organic compounds |
| Exact Mass | 446.121 |
| Formal Charge | 0.0 |
| Brenk Violation | False |
| Monoisotopic Mass | 446.121 |
| Hydrogen Bond Acceptor Count | 10.0 |
| Molecular Weight | 446.4 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 5.0 |
| Total Bond Stereocenter Count | 0.0 |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Inchi | InChI=1S/C22H22O10/c1-29-11-4-2-10(3-5-11)13-9-30-15-7-12(6-14(24)17(15)18(13)25)31-22-21(28)20(27)19(26)16(8-23)32-22/h2-7,9,16,19-24,26-28H,8H2,1H3 |
| Smiles | COC1=CC=C(C=C1)C2=COC3=CC(=CC(=C3C2=O)O)OC4C(C(C(C(O4)CO)O)O)O |
| Defined Bond Stereocenter Count | 0.0 |
| Taxonomy Direct Parent | Isoflavonoid O-glycosides |
- 1. Outgoing r'ship
FOUND_INto/from Cicer Arietinum (Plant) Rel Props:Source_db:fooddb_chem_all