4-Hydroxymedicarpin
PubChem CID: 11536537
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| Compound Synonyms | 4-Hydroxymedicarpin, 3,4-dihydroxy-9-methoxypterocarpan, 9-methoxy-6a,11a-dihydro-6H-(1)benzofuro(3,2-c)chromene-3,4-diol, 9-methoxy-6a,11a-dihydro-6H-[1]benzofuro[3,2-c]chromene-3,4-diol, CHEMBL450694, SCHEMBL13731396, CHEBI:174729, LMPK12070074, 9-methoxy-6a,11a-dihydro-6H-[1]benzouro[3,2-c]chromene-3,4-diol, 61135-94-2 |
|---|---|
| Topological Polar Surface Area | 68.2 |
| Hydrogen Bond Donor Count | 2.0 |
| Heavy Atom Count | 21.0 |
| Description | Isolated from fungus-infected leaves of Melilotus alba (white melilot). 3,4-Dihydroxy-9-methoxypterocarpan is found in herbs and spices and pulses. |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 389.0 |
| Database Name | cmaup_ingredients;fooddb_chem_all;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 9-methoxy-6a,11a-dihydro-6H-[1]benzofuro[3,2-c]chromene-3,4-diol |
| Prediction Hob | 1.0 |
| Xlogp | 2.3 |
| Molecular Formula | C16H14O5 |
| Prediction Swissadme | 0.0 |
| Inchi Key | YRFDJOAWSXSLMG-UHFFFAOYSA-N |
| Fcsp3 | 0.25 |
| Logs | -3.669 |
| Rotatable Bond Count | 1.0 |
| Logd | 2.798 |
| Synonyms | 3,4-Dihydroxy-9-methoxypterocarpan, 4-Hydroxymedicarpin |
| Compound Name | 4-Hydroxymedicarpin |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 286.084 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 286.084 |
| Hydrogen Bond Acceptor Count | 5.0 |
| Molecular Weight | 286.28 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 2.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -3.389311742857142 |
| Inchi | InChI=1S/C16H14O5/c1-19-8-2-3-9-11-7-20-16-10(4-5-12(17)14(16)18)15(11)21-13(9)6-8/h2-6,11,15,17-18H,7H2,1H3 |
| Smiles | COC1=CC2=C(C=C1)C3COC4=C(C3O2)C=CC(=C4O)O |
| Nring | 4.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Platymiscium Floribundum (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all