Barpisoflavone A
PubChem CID: 9944143
Connections displayed (default: 10).
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| Compound Synonyms | Barpisoflavone A, 101691-27-4, 3-(2,4-DIHYDROXYPHENYL)-7-HYDROXY-5-METHOXYCHROMEN-4-ONE, 2',4',7-Trihydroxy-5-methoxyisoflavone, 3-(2,4-dihydroxyphenyl)-7-hydroxy-5-methoxy-4H-chromen-4-one, starbld0000830, CHEMBL4173195, CHEBI:174856, DTXSID001316810, BEA69127, HY-N2917, AKOS032948865, FS-9400, DA-71294, CS-0023519, F92979, NCGC00385364-01!3-(2,4-dihydroxyphenyl)-7-hydroxy-5-methoxychromen-4-one |
|---|---|
| Topological Polar Surface Area | 96.2 |
| Hydrogen Bond Donor Count | 3.0 |
| Heavy Atom Count | 22.0 |
| Description | Constituent of Phaseolus coccineus (scarlet runner bean). Barpisoflavone A is found in scarlet bean. |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 462.0 |
| Database Name | fooddb_chem_all;hmdb_chem_all;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Uniprot Id | P22309 |
| Iupac Name | 3-(2,4-dihydroxyphenyl)-7-hydroxy-5-methoxychromen-4-one |
| Nih Violation | False |
| Class | Isoflavonoids |
| Xlogp | 2.1 |
| Superclass | Phenylpropanoids and polyketides |
| Is Pains | False |
| Subclass | Isoflav-2-enes |
| Molecular Formula | C16H12O6 |
| Inchi Key | TUTSVLUUGMNALO-UHFFFAOYSA-N |
| Rotatable Bond Count | 2.0 |
| State | Solid |
| Synonyms | 2'-Hydroxyisoprunetin, 2',4',7-Trihydroxy-5-methoxyisoflavone, Barpisoflavone A |
| Compound Name | Barpisoflavone A |
| 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 | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Inchi | InChI=1S/C16H12O6/c1-21-13-5-9(18)6-14-15(13)16(20)11(7-22-14)10-3-2-8(17)4-12(10)19/h2-7,17-19H,1H3 |
| Smiles | COC1=CC(=CC2=C1C(=O)C(=CO2)C3=C(C=C(C=C3)O)O)O |
| Defined Bond Stereocenter Count | 0.0 |
| Taxonomy Direct Parent | Isoflavones |
- 1. Outgoing r'ship
FOUND_INto/from Agave Americana (Plant) Rel Props:Reference: - 2. Outgoing r'ship
FOUND_INto/from Brunfelsia Americana (Plant) Rel Props:Reference: - 3. Outgoing r'ship
FOUND_INto/from Cordia Americana (Plant) Rel Props:Reference: - 4. Outgoing r'ship
FOUND_INto/from Erythrina Americana (Plant) Rel Props:Reference: - 5. Outgoing r'ship
FOUND_INto/from Genipa Americana (Plant) Rel Props:Reference: - 6. Outgoing r'ship
FOUND_INto/from Mammea Americana (Plant) Rel Props:Reference: - 7. Outgoing r'ship
FOUND_INto/from Persea Americana (Plant) Rel Props:Reference: - 8. Outgoing r'ship
FOUND_INto/from Phaseolus Coccineus (Plant) Rel Props:Source_db:fooddb_chem_all - 9. Outgoing r'ship
FOUND_INto/from Phytolacca Americana (Plant) Rel Props:Reference: - 10. Outgoing r'ship
FOUND_INto/from Ulmus Americana (Plant) Rel Props:Reference: - 11. Outgoing r'ship
FOUND_INto/from Waltheria Americana (Plant) Rel Props:Reference: - 12. Outgoing r'ship
FOUND_INto/from Ximenia Americana (Plant) Rel Props:Reference: