5,2',4',5'-Tetrahydroxy-3-(3-hydroxy-3-methylbutyl)-6'',6''-dimethylpyrano[2'',3'':7,8]flavone
PubChem CID: 14630497
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| Compound Synonyms | KB 2, 5,2',4',5'-Tetrahydroxy-3-(3-hydroxy-3-methylbutyl)-6'',6''-dimethylpyrano[2'',3'':7,8]flavone, KB-2, CHEBI:175621, DTXSID301105729, LMPK12110924, 133740-64-4, 4H,8H-Benzo[1,2-b:3,4-ba(2)]dipyran-4-one, 5-hydroxy-3-(3-hydroxy-3-methylbutyl)-8,8-dimethyl-2-(2,4,5-trihydroxyphenyl)-, 5-hydroxy-3-(3-hydroxy-3-methylbutyl)-8,8-dimethyl-2-(2,4,5-trihydroxyphenyl)pyrano[2,3-h]chromen-4-one |
|---|---|
| Topological Polar Surface Area | 137.0 |
| Hydrogen Bond Donor Count | 5.0 |
| Inchi Key | HENAAGIOPZLIKO-UHFFFAOYSA-N |
| Rotatable Bond Count | 4.0 |
| Synonyms | 5,2',4',5'-Tetrahydroxy-3-(3-hydroxy-3-methylbutyl)-6'',6''-dimethylpyrano[2'',3'':7,8]flavone, KB 2, KB-2, Omannan, Omannan backbone, Phosphomannan, Phosphomannan backbone |
| Heavy Atom Count | 33.0 |
| Compound Name | 5,2',4',5'-Tetrahydroxy-3-(3-hydroxy-3-methylbutyl)-6'',6''-dimethylpyrano[2'',3'':7,8]flavone |
| Description | Constituent of Artocarpus communis (breadfruit). KB 2 is found in breadfruit and fruits. |
| Exact Mass | 454.163 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 454.163 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 830.0 |
| Hydrogen Bond Acceptor Count | 8.0 |
| Molecular Weight | 454.5 |
| Database Name | fooddb_chem_all;pubchem |
| Covalent Unit Count | 1.0 |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 5-hydroxy-3-(3-hydroxy-3-methylbutyl)-8,8-dimethyl-2-(2,4,5-trihydroxyphenyl)pyrano[2,3-h]chromen-4-one |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Inchi | InChI=1S/C25H26O8/c1-24(2,31)7-5-13-21(30)20-18(29)11-19-12(6-8-25(3,4)33-19)23(20)32-22(13)14-9-16(27)17(28)10-15(14)26/h6,8-11,26-29,31H,5,7H2,1-4H3 |
| Smiles | CC1(C=CC2=C(O1)C=C(C3=C2OC(=C(C3=O)CCC(C)(C)O)C4=CC(=C(C=C4O)O)O)O)C |
| Xlogp | 3.8 |
| Defined Bond Stereocenter Count | 0.0 |
| Molecular Formula | C25H26O8 |
- 1. Outgoing r'ship
FOUND_INto/from Artocarpus Communis (Plant) Rel Props:Source_db:fooddb_chem_all