7,4'-Dihydroxy-2',3'-dimethoxyisoflavan
PubChem CID: 176471
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| Compound Synonyms | Laxifloran, 27973-50-8, Sphaerosin, Spherosin, 7,4'-Dihydroxy-2',3'-dimethoxyisoflavan, Laxifloran, (+/-)-, 3-(4-hydroxy-2,3-dimethoxyphenyl)-3,4-dihydro-2H-chromen-7-ol, 8806U3RN0X, 3-(4-hydroxy-2,3-dimethoxyphenyl)chroman-7-ol, 3,4-Dihydro-3-(4-hydroxy-2,3-dimethoxyphenyl)-2H-1-benzopyran-7-ol, UNII-8806U3RN0X, (+/-)-laxifloran, (+/-)-Sphaerosin, 56499-30-0, 4',7-Dihydroxy-2',3'-dimethoxyisoflavan, (+/-)-SPHEROSIN, DTXSID50950662, CHEBI:173259, LMPK12080034, AKOS040747021, DB-289592, 4',7-ISOFLAVANDIOL, 2',3'-DIMETHOXY-, Q27269862, (+)-3,4-Dihydro-3-(4-hydroxy-2,3-dimethoxyphenyl)-2h-1-benzopyran-7-ol, 2H-1-Benzopyran-7-ol, 3,4-dihydro-3-(4-hydroxy-2,3-dimethoxyphenyl)-, 3-(4-Hydroxy-2,3-dimethoxyphenyl)-3,4-dihydro-2H-1-benzopyran-7-ol |
|---|---|
| Topological Polar Surface Area | 68.2 |
| Hydrogen Bond Donor Count | 2.0 |
| Inchi Key | HHNUTZFOMIAQMX-UHFFFAOYSA-N |
| Rotatable Bond Count | 3.0 |
| Synonyms | (+/-)-sphaerosin, (±)-Sphaerosin, 7,4'-Dihydroxy-2',3'-dimethoxyisoflavan, Laxifloran |
| Heavy Atom Count | 22.0 |
| Compound Name | 7,4'-Dihydroxy-2',3'-dimethoxyisoflavan |
| Description | Isolated from Lablab niger (hyacinth bean). (±)-Sphaerosin is found in many foods, some of which are hyacinth bean, yellow wax bean, pulses, and common bean. |
| Exact Mass | 302.115 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 302.115 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 363.0 |
| Hydrogen Bond Acceptor Count | 5.0 |
| Molecular Weight | 302.32 |
| Database Name | fooddb_chem_all;pubchem |
| Covalent Unit Count | 1.0 |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 3-(4-hydroxy-2,3-dimethoxyphenyl)-3,4-dihydro-2H-chromen-7-ol |
| Total Atom Stereocenter Count | 1.0 |
| Total Bond Stereocenter Count | 0.0 |
| Inchi | InChI=1S/C17H18O5/c1-20-16-13(5-6-14(19)17(16)21-2)11-7-10-3-4-12(18)8-15(10)22-9-11/h3-6,8,11,18-19H,7,9H2,1-2H3 |
| Smiles | COC1=C(C=CC(=C1OC)O)C2CC3=C(C=C(C=C3)O)OC2 |
| Xlogp | 2.9 |
| Defined Bond Stereocenter Count | 0.0 |
| Molecular Formula | C17H18O5 |
- 1. Outgoing r'ship
FOUND_INto/from Lablab Niger (Plant) Rel Props:Source_db:fooddb_chem_all - 2. Outgoing r'ship
FOUND_INto/from Lablab Purpureus (Plant) Rel Props:Source_db:fooddb_chem_all - 3. Outgoing r'ship
FOUND_INto/from Phaseolus Vulgaris (Plant) Rel Props:Source_db:fooddb_chem_all