2'-Methoxyphaseollinisoflavan (incorr.)
PubChem CID: 131751563
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| Compound Synonyms | 2'-Methoxyphaseollinisoflavan (incorr.) |
|---|---|
| Topological Polar Surface Area | 47.9 |
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 25.0 |
| Description | From Phaseolus vulgaris (kidney bean). 2'-O-Methylphaseollinisoflavan is found in many foods, some of which are common bean, pulses, green bean, and yellow wax bean. |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 502.0 |
| Database Name | fooddb_chem_all;hmdb_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 3-(5-methoxy-1,1-dimethylisochromen-6-yl)-3,4-dihydro-2H-chromen-7-ol |
| Nih Violation | False |
| Class | Isoflavonoids |
| Xlogp | 3.9 |
| Superclass | Phenylpropanoids and polyketides |
| Is Pains | False |
| Subclass | O-methylated isoflavonoids |
| Molecular Formula | C21H22O4 |
| Inchi Key | FHUJPAOFRVLFNQ-UHFFFAOYSA-N |
| Rotatable Bond Count | 2.0 |
| State | Solid |
| Synonyms | 2'-Methoxyphaseollinisoflavan (incorr.), 2'-O-Methylphaseollinisoflavan |
| Compound Name | 2'-Methoxyphaseollinisoflavan (incorr.) |
| Kingdom | Organic compounds |
| Exact Mass | 338.152 |
| Formal Charge | 0.0 |
| Brenk Violation | False |
| Monoisotopic Mass | 338.152 |
| Hydrogen Bond Acceptor Count | 4.0 |
| Molecular Weight | 338.4 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 1.0 |
| Total Bond Stereocenter Count | 0.0 |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Inchi | InChI=1S/C21H22O4/c1-21(2)18-7-6-16(20(23-3)17(18)8-9-25-21)14-10-13-4-5-15(22)11-19(13)24-12-14/h4-9,11,14,22H,10,12H2,1-3H3 |
| Smiles | CC1(C2=C(C=CO1)C(=C(C=C2)C3CC4=C(C=C(C=C4)O)OC3)OC)C |
| Defined Bond Stereocenter Count | 0.0 |
| Taxonomy Direct Parent | 2'-O-methylated isoflavonoids |
- 1. Outgoing r'ship
FOUND_INto/from Phaseolus Vulgaris (Plant) Rel Props:Source_db:fooddb_chem_all