16-Methoxy-5,7,11,19-tetraoxapentacyclo[10.8.0.02,10.04,8.013,18]icosa-2,4(8),9,13,15,17-hexaene-1,15-diol
PubChem CID: 85120804
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| Topological Polar Surface Area | 86.6 |
|---|---|
| Hydrogen Bond Donor Count | 2.0 |
| Inchi Key | PAURLKLZDUKKLK-UHFFFAOYSA-N |
| Rotatable Bond Count | 1.0 |
| Synonyms | (+)-Hydroxypisatin, (6aR,11aR)2,6a-Dihydroxy-3-methoxy-8,9-methylenedioxypterocarpan, 2-Hydroxypisatin, 2,6a-Dihydroxy-3-methoxy-8,9-methylenedioxypterocarpan |
| Heavy Atom Count | 24.0 |
| Compound Name | 16-Methoxy-5,7,11,19-tetraoxapentacyclo[10.8.0.02,10.04,8.013,18]icosa-2,4(8),9,13,15,17-hexaene-1,15-diol |
| Description | 2-hydroxypisatin is a member of the class of compounds known as pterocarpans. Pterocarpans are benzo-pyrano-furano-benzene compounds, containing the 6H-[1]benzofuro[3,2-c]chromene skeleton. They are derivatives of isoflavonoids. 2-hydroxypisatin is slightly soluble (in water) and a very weakly acidic compound (based on its pKa). 2-hydroxypisatin can be found in common pea, which makes 2-hydroxypisatin a potential biomarker for the consumption of this food product. |
| Exact Mass | 330.074 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 330.074 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 501.0 |
| Hydrogen Bond Acceptor Count | 7.0 |
| Molecular Weight | 330.29 |
| Database Name | fooddb_chem_all;pubchem |
| Covalent Unit Count | 1.0 |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 16-methoxy-5,7,11,19-tetraoxapentacyclo[10.8.0.02,10.04,8.013,18]icosa-2,4(8),9,13,15,17-hexaene-1,15-diol |
| Total Atom Stereocenter Count | 2.0 |
| Total Bond Stereocenter Count | 0.0 |
| Inchi | InChI=1S/C17H14O7/c1-20-13-4-11-8(2-10(13)18)16-17(19,6-21-11)9-3-14-15(23-7-22-14)5-12(9)24-16/h2-5,16,18-19H,6-7H2,1H3 |
| Smiles | COC1=C(C=C2C3C(COC2=C1)(C4=CC5=C(C=C4O3)OCO5)O)O |
| Xlogp | 1.3 |
| Defined Bond Stereocenter Count | 0.0 |
| Molecular Formula | C17H14O7 |
- 1. Outgoing r'ship
FOUND_INto/from Pisum Sativum (Plant) Rel Props:Source_db:fooddb_chem_all