Hispidol
PubChem CID: 5281254
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| Compound Synonyms | Hispidol, 5786-54-9, 6,4''-DIHYDROXYAURONE, (Z)-Hispidol, (2Z)-6-hydroxy-2-[(4-hydroxyphenyl)methylidene]-1-benzofuran-3-one, 4',6-Dihydroxyaurone, (Z)-4',6-Dihydroxyaurone, CHEBI:5731, CHEMBL426110, CS1235I0WT, Isoliquiritigenin metabolite M6, NSC356828, NSC-356828, (Z)-6-Hydroxy-2-(4-hydroxybenzylidene)benzofuran-3(2H)-one, 2-((4-Hydroxyphenyl)methylidene)-6-oxidanyl-1-benzofuran-3-one, (2Z)-6-Hydroxy-2-((4-hydroxyphenyl)methylene)-3(2H)-benzofuranone, 3(2H)-Benzofuranone, 6-hydroxy-2-((4-hydroxyphenyl)methylene)-, (2Z)-, (2Z)-6-hydroxy-2-[(4-hydroxyphenyl)methylidene]-2,3-dihydro-1-benzofuran-3-one, Hispidol?, 3(2H)-Benzofuranone, 6-hydroxy-2-[(4-hydroxyphenyl)methylene]-, (2Z)-, ZE-Hispidol, 92439-14-0, 6,4' -dihydroxy aurone, UNII-CS1235I0WT, 6,4'-DIHYDROXYAURONE, SCHEMBL5707753, KEZLDSPIRVZOKZ-AUWJEWJLSA-N, BDBM50180260, NSC814362, AKOS001354021, CS-7503, FH45951, NSC 356828, NSC-814362, DA-74174, MS-23577, HY-102040, C08644, AB00767717-01, Benzofuran-6-ol-3-one, 2-[4-hydroxybenzylidene]-, Q27106875, 2-(4''-Hydroxybenzylidene)-6-hydroxybenzofuran-3(2H)-one, (2Z)-6-hydroxy-2-[(4-hydroxyphenyl)methylene]benzofuran-3-one, (Z)-2-(4-hydroxybenzylidene)-6-hydroxybenzofuran-3(2H)-one, (2Z)-6-Hydroxy-2-(4-hydroxybenzylidene)-1-benzofuran-3(2H)-one #, (2Z)-6-hydroxy-2-[(4-hydroxyphenyl)methylidene]-1-benzofuran-3(2H)-one |
|---|---|
| Topological Polar Surface Area | 66.8 |
| Hydrogen Bond Donor Count | 2.0 |
| Heavy Atom Count | 19.0 |
| Description | Isolated from seedlings of Glycine max (soybean) (Soja hispida). (Z)-4',6-Dihydroxyaurone is found in soy bean and pulses. |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 382.0 |
| Database Name | fooddb_chem_all;hmdb_chem_all;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Uniprot Id | P14679, P15559, P21397, P27338, O42713, P25099, P30543 |
| Iupac Name | (2Z)-6-hydroxy-2-[(4-hydroxyphenyl)methylidene]-1-benzofuran-3-one |
| Nih Violation | False |
| Class | Aurone flavonoids |
| Xlogp | 2.9 |
| Superclass | Phenylpropanoids and polyketides |
| Is Pains | False |
| Molecular Formula | C15H10O4 |
| Inchi Key | KEZLDSPIRVZOKZ-AUWJEWJLSA-N |
| Rotatable Bond Count | 1.0 |
| State | Solid |
| Synonyms | Hispidol, Hispidol?, (2Z)-6-Hydroxy-2-(4-hydroxybenzylidene)-1-benzofuran-3(2H)-one |
| Substituent Name | Aurone, Benzofuran, Aryl ketone, Phenol, Benzenoid, Monocyclic benzene moiety, Ketone, Oxacycle, Organoheterocyclic compound, Hydrocarbon derivative, Organooxygen compound, Carbonyl group, Aromatic heteropolycyclic compound |
| Compound Name | Hispidol |
| Kingdom | Organic compounds |
| Exact Mass | 254.058 |
| Formal Charge | 0.0 |
| Brenk Violation | True |
| Monoisotopic Mass | 254.058 |
| Hydrogen Bond Acceptor Count | 4.0 |
| Molecular Weight | 254.24 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 1.0 |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Inchi | InChI=1S/C15H10O4/c16-10-3-1-9(2-4-10)7-14-15(18)12-6-5-11(17)8-13(12)19-14/h1-8,16-17H/b14-7- |
| Smiles | C1=CC(=CC=C1/C=C\2/C(=O)C3=C(O2)C=C(C=C3)O)O |
| Defined Bond Stereocenter Count | 1.0 |
| Taxonomy Direct Parent | Aurone flavonoids |
- 1. Outgoing r'ship
FOUND_INto/from Glycine Max (Plant) Rel Props:Source_db:fooddb_chem_all - 2. Outgoing r'ship
FOUND_INto/from Leptospermum Polygalifolium (Plant) Rel Props:Source_db:npass_chem_all