6alpha-Hydroxymaackiain
PubChem CID: 44257487
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| Compound Synonyms | 6a-Hydroxymaackiain, 6a-Hydroxyinermin, 6alpha-Hydroxymaackiain, 3,6a-Dihydroxy-8,9-methylenedioxypterocarpan, 14602-93-8, 5,7,11,19-tetraoxapentacyclo[10.8.0.02,10.04,8.013,18]icosa-2,4(8),9,13(18),14,16-hexaene-1,16-diol, 5,7,11,19-tetraoxapentacyclo(10.8.0.02,10.04,8.013,18)icosa-2,4(8),9,13(18),14,16-hexaene-1,16-diol, 6?-Hydroxymaackiain, SCHEMBL4726444, CHEBI:174859, LCA21844, LMPK12070133, AKOS032948949, XH161543, 3,6a-Dihydroxy-8,9-methylenedioxypterocarpan, (+)-6a-Hydroxymaackiain |
|---|---|
| Topological Polar Surface Area | 77.4 |
| Hydrogen Bond Donor Count | 2.0 |
| Heavy Atom Count | 22.0 |
| Description | Isolated from leaves of Trifolium pratense (red clover) as a phytoalexin. 6alpha-Hydroxymaackiain is found in many foods, some of which are pulses, tea, common pea, and herbs and spices. |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 458.0 |
| Database Name | fooddb_chem_all;hmdb_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 5,7,11,19-tetraoxapentacyclo[10.8.0.02,10.04,8.013,18]icosa-2,4(8),9,13(18),14,16-hexaene-1,16-diol |
| Nih Violation | False |
| Class | Isoflavonoids |
| Xlogp | 1.4 |
| Superclass | Phenylpropanoids and polyketides |
| Is Pains | False |
| Subclass | Furanoisoflavonoids |
| Molecular Formula | C16H12O6 |
| Inchi Key | GLMPLZUBQDAZEN-UHFFFAOYSA-N |
| Rotatable Bond Count | 0.0 |
| State | Solid |
| Synonyms | 3,6a-Dihydroxy-8,9-methylenedioxypterocarpan, 6a-Hydroxyinermin, 6a-Hydroxymaackiain, 6Α-hydroxymaackiain, 4,9-Dihydroxy-3-methoxycoumestan, 8,12-Dihydroxy-7-methoxycoumestan |
| Compound Name | 6alpha-Hydroxymaackiain |
| Kingdom | Organic compounds |
| Exact Mass | 300.063 |
| Formal Charge | 0.0 |
| Brenk Violation | False |
| Monoisotopic Mass | 300.063 |
| Hydrogen Bond Acceptor Count | 6.0 |
| Molecular Weight | 300.26 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 2.0 |
| Total Bond Stereocenter Count | 0.0 |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Inchi | InChI=1S/C16H12O6/c17-8-1-2-9-11(3-8)19-6-16(18)10-4-13-14(21-7-20-13)5-12(10)22-15(9)16/h1-5,15,17-18H,6-7H2 |
| Smiles | C1C2(C(C3=C(O1)C=C(C=C3)O)OC4=CC5=C(C=C42)OCO5)O |
| Defined Bond Stereocenter Count | 0.0 |
| Taxonomy Direct Parent | Pterocarpans |
- 1. Outgoing r'ship
FOUND_INto/from Pisum Sativum (Plant) Rel Props:Source_db:fooddb_chem_all