Isovestitol
PubChem CID: 591830
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| Compound Synonyms | Isovestitol, Isovestitol, (+/-)-, 7,4'-Dihydroxy-2'-methoxyisoflavan, (3RS)-7,4'-Dihydroxy-2'-methoxyisoflavan, UNII-H281Z02913, H281Z02913, 2H-1-Benzopyran-7-ol, 3,4-dihydro-3-(4-hydroxy-2-methoxyphenyl)-, 63631-42-5, DTXSID20343729, 3-(4-hydroxy-2-methoxyphenyl)-3,4-dihydro-2H-chromen-7-ol, 4',7-DIHYDROXY-2'-METHOXYISOFLAVAN, 3-(4-Hydroxy-2-methoxyphenyl)-7-chromanol, 75172-32-6, DTXCID00294806, CHEBI:174582, FFDNYMAHNWBKCH-UHFFFAOYSA-N, LMPK12080028, DB-228348, 3-(4-Hydroxy-2-methoxyphenyl)-7-chromanol #, Q27279540 |
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| Topological Polar Surface Area | 58.9 |
| Hydrogen Bond Donor Count | 2.0 |
| Inchi Key | FFDNYMAHNWBKCH-UHFFFAOYSA-N |
| Rotatable Bond Count | 2.0 |
| Synonyms | 4',7-Dihydroxy-2'-methoxyisoflavan, 7,4'-Dihydroxy-2'-methoxyisoflavan, Isovestitol |
| Heavy Atom Count | 20.0 |
| Compound Name | Isovestitol |
| Description | Phytoalexin of Lablab niger (hyacinth bean). Isovestitol is found in hyacinth bean and pulses. |
| Exact Mass | 272.105 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 272.105 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 322.0 |
| Hydrogen Bond Acceptor Count | 4.0 |
| Molecular Weight | 272.29 |
| Database Name | fooddb_chem_all;pubchem |
| Covalent Unit Count | 1.0 |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 3-(4-hydroxy-2-methoxyphenyl)-3,4-dihydro-2H-chromen-7-ol |
| Total Atom Stereocenter Count | 1.0 |
| Total Bond Stereocenter Count | 0.0 |
| Inchi | InChI=1S/C16H16O4/c1-19-16-8-13(18)4-5-14(16)11-6-10-2-3-12(17)7-15(10)20-9-11/h2-5,7-8,11,17-18H,6,9H2,1H3 |
| Smiles | COC1=C(C=CC(=C1)O)C2CC3=C(C=C(C=C3)O)OC2 |
| Xlogp | 2.9 |
| Defined Bond Stereocenter Count | 0.0 |
| Molecular Formula | C16H16O4 |
- 1. Outgoing r'ship
FOUND_INto/from Lablab Niger (Plant) Rel Props:Source_db:fooddb_chem_all