3-(2,4-Dihydroxyphenyl)-5,9-dihydroxy-8,8-dimethyl-9,10-dihydropyrano[2,3-h]chromen-4-one
PubChem CID: 101602347
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| Topological Polar Surface Area | 116.0 |
|---|---|
| Hydrogen Bond Donor Count | 4.0 |
| Inchi Key | GUVOWHHQZUZCIH-UHFFFAOYSA-N |
| Rotatable Bond Count | 1.0 |
| Synonyms | 3-(2,4-Dihydroxyphenyl)-9,10-dihydro-5,9-dihydroxy-8,8-dimethyl-4H,8H-benzo[1,2-b:3,4-b']dipyran-4-one, 9CI |
| Heavy Atom Count | 27.0 |
| Compound Name | 3-(2,4-Dihydroxyphenyl)-5,9-dihydroxy-8,8-dimethyl-9,10-dihydropyrano[2,3-h]chromen-4-one |
| Description | Constituent of Phaseolus lunatus (butter bean). Lunatone is found in pulses and lima bean. |
| Exact Mass | 370.105 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 370.105 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 630.0 |
| Hydrogen Bond Acceptor Count | 7.0 |
| Molecular Weight | 370.4 |
| Database Name | fooddb_chem_all;pubchem |
| Covalent Unit Count | 1.0 |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 3-(2,4-dihydroxyphenyl)-5,9-dihydroxy-8,8-dimethyl-9,10-dihydropyrano[2,3-h]chromen-4-one |
| Total Atom Stereocenter Count | 1.0 |
| Total Bond Stereocenter Count | 0.0 |
| Inchi | InChI=1S/C20H18O7/c1-20(2)16(24)6-11-15(27-20)7-14(23)17-18(25)12(8-26-19(11)17)10-4-3-9(21)5-13(10)22/h3-5,7-8,16,21-24H,6H2,1-2H3 |
| Smiles | CC1(C(CC2=C(O1)C=C(C3=C2OC=C(C3=O)C4=C(C=C(C=C4)O)O)O)O)C |
| Xlogp | 2.7 |
| Defined Bond Stereocenter Count | 0.0 |
| Molecular Formula | C20H18O7 |
- 1. Outgoing r'ship
FOUND_INto/from Phaseolus Lunatus (Plant) Rel Props:Source_db:fooddb_chem_all