7-Hydroxy-2',4',5'-trimethoxyisoflavan
PubChem CID: 14394138
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| Compound Synonyms | 7-Hydroxy-2',4',5'-trimethoxyisoflavan, 5'-Methoxysativan, CHEBI:175068, 3-(2,4,5-trimethoxyphenyl)-3,4-dihydro-2H-chromen-7-ol |
|---|---|
| Topological Polar Surface Area | 57.2 |
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 23.0 |
| Description | Isolated from the leaves of Medicago sativa (alfalfa). 7-Hydroxy-2',4',5'-trimethoxyisoflavan is found in alfalfa and pulses. |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 376.0 |
| Database Name | fooddb_chem_all;hmdb_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 3-(2,4,5-trimethoxyphenyl)-3,4-dihydro-2H-chromen-7-ol |
| Nih Violation | False |
| Class | Isoflavonoids |
| Xlogp | 3.2 |
| Superclass | Phenylpropanoids and polyketides |
| Is Pains | False |
| Subclass | O-methylated isoflavonoids |
| Molecular Formula | C18H20O5 |
| Inchi Key | RXXVCVOYIGXBFH-UHFFFAOYSA-N |
| Rotatable Bond Count | 4.0 |
| Synonyms | 5'-Methoxysativan, 7-Hydroxy-2',4',5'-trimethoxyisoflavan |
| Compound Name | 7-Hydroxy-2',4',5'-trimethoxyisoflavan |
| Kingdom | Organic compounds |
| Exact Mass | 316.131 |
| Formal Charge | 0.0 |
| Brenk Violation | False |
| Monoisotopic Mass | 316.131 |
| Hydrogen Bond Acceptor Count | 5.0 |
| Molecular Weight | 316.3 |
| 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/C18H20O5/c1-20-16-9-18(22-3)17(21-2)8-14(16)12-6-11-4-5-13(19)7-15(11)23-10-12/h4-5,7-9,12,19H,6,10H2,1-3H3 |
| Smiles | COC1=CC(=C(C=C1C2CC3=C(C=C(C=C3)O)OC2)OC)OC |
| Defined Bond Stereocenter Count | 0.0 |
| Taxonomy Direct Parent | 4'-O-methylated isoflavonoids |
- 1. Outgoing r'ship
FOUND_INto/from Medicago Sativa (Plant) Rel Props:Source_db:fooddb_chem_all