Isoflavone base + 1O, 2MeO, O-Hex
PubChem CID: 12444947
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| Compound Synonyms | Isoflavone base + 1O, 2MeO, O-Hex, 6-methoxy-3-(4-methoxyphenyl)-7-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-4-one, afrormosin-7-O-glucoside, DTXSID001347423, HMS3334B13 |
|---|---|
| Topological Polar Surface Area | 144.0 |
| Hydrogen Bond Donor Count | 4.0 |
| Heavy Atom Count | 33.0 |
| Description | Present in alfalfa (Medicago sativa). Afrormosin 7-glucoside is found in alfalfa and pulses. |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 705.0 |
| Database Name | fooddb_chem_all;hmdb_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 6-methoxy-3-(4-methoxyphenyl)-7-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-4-one |
| Nih Violation | False |
| Class | Isoflavonoids |
| Xlogp | 1.0 |
| Superclass | Phenylpropanoids and polyketides |
| Is Pains | False |
| Subclass | Isoflavonoid O-glycosides |
| Molecular Formula | C23H24O10 |
| Inchi Key | YLYJXNTZVUEFJZ-UHFFFAOYSA-N |
| Rotatable Bond Count | 6.0 |
| State | Solid |
| Synonyms | Afrormosin 7-glucoside, Afrormosin 7-O-glucoside, Wistin |
| Compound Name | Isoflavone base + 1O, 2MeO, O-Hex |
| Kingdom | Organic compounds |
| Exact Mass | 460.137 |
| Formal Charge | 0.0 |
| Brenk Violation | False |
| Monoisotopic Mass | 460.137 |
| Hydrogen Bond Acceptor Count | 10.0 |
| Molecular Weight | 460.4 |
| 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/C23H24O10/c1-29-12-5-3-11(4-6-12)14-10-31-15-8-17(16(30-2)7-13(15)19(14)25)32-23-22(28)21(27)20(26)18(9-24)33-23/h3-8,10,18,20-24,26-28H,9H2,1-2H3 |
| Smiles | COC1=CC=C(C=C1)C2=COC3=CC(=C(C=C3C2=O)OC)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 Medicago Sativa (Plant) Rel Props:Source_db:fooddb_chem_all