4-Hydroxydemethylmedicarpin
PubChem CID: 44257457
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| Compound Synonyms | 3,4,9-Trihydroxypterocarpan, 4-Hydroxydemethylmedicarpin, 4',7,8-Trihydroxypterocarpan, 6a,11a-Dihydro-6H-benzofuro[3,2-c][1]benzopyran-3,4,9-triol, 6a,11a-dihydro-6H-(1)benzofuro(3,2-c)chromene-3,4,9-triol, 6a,11a-dihydro-6H-[1]benzofuro[3,2-c]chromene-3,4,9-triol, 6a,11a-Dihydro-6H-benzofuro(3,2-c)(1)benzopyran-3,4,9-triol, CHEBI:174575, LMPK12070073, 6a,11a-dihydro-6H-[1]benzouro[3,2-c]chromene-3,4,9-triol |
|---|---|
| Topological Polar Surface Area | 79.2 |
| Hydrogen Bond Donor Count | 3.0 |
| Inchi Key | CLHTZHIBHTWFEM-UHFFFAOYSA-N |
| Rotatable Bond Count | 0.0 |
| Synonyms | 4-Hydroxydemethylmedicarpin, 4',7,8-Trihydroxypterocarpan, 6a,11a-Dihydro-6H-benzofuro[3,2-c][1]benzopyran-3,4,9-triol |
| Heavy Atom Count | 20.0 |
| Compound Name | 4-Hydroxydemethylmedicarpin |
| Description | Isolated from fungus-infected leaves of Melilotus alba (white melilot). 3,4,9-Trihydroxypterocarpan is found in alfalfa, herbs and spices, and pulses. |
| Exact Mass | 272.068 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 272.068 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 375.0 |
| Hydrogen Bond Acceptor Count | 5.0 |
| Molecular Weight | 272.25 |
| Database Name | fooddb_chem_all;pubchem |
| Covalent Unit Count | 1.0 |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 6a,11a-dihydro-6H-[1]benzofuro[3,2-c]chromene-3,4,9-triol |
| Total Atom Stereocenter Count | 2.0 |
| Total Bond Stereocenter Count | 0.0 |
| Inchi | InChI=1S/C15H12O5/c16-7-1-2-8-10-6-19-15-9(3-4-11(17)13(15)18)14(10)20-12(8)5-7/h1-5,10,14,16-18H,6H2 |
| Smiles | C1C2C(C3=C(O1)C(=C(C=C3)O)O)OC4=C2C=CC(=C4)O |
| Xlogp | 1.9 |
| Defined Bond Stereocenter Count | 0.0 |
| Molecular Formula | C15H12O5 |
- 1. Outgoing r'ship
FOUND_INto/from Medicago Sativa (Plant) Rel Props:Source_db:fooddb_chem_all