Phytoalexin
PubChem CID: 3482905
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| Compound Synonyms | Phytoalexin, 2',5-dimethoxy-6,7-methylenedioxyflavanone, CHEBI:26115 |
|---|---|
| Topological Polar Surface Area | 63.2 |
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 24.0 |
| Description | Constituent of the leaves of sugar beet (Beta vulgaris) infected with Cercospora beticola. Betagarin is found in red beetroot, common beet, and root vegetables. |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 468.0 |
| Database Name | fooddb_chem_all;hmdb_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 9-methoxy-6-(2-methoxyphenyl)-6,7-dihydro-[1,3]dioxolo[4,5-g]chromen-8-one |
| Nih Violation | True |
| Class | Flavonoids |
| Xlogp | 2.7 |
| Superclass | Phenylpropanoids and polyketides |
| Is Pains | False |
| Subclass | O-methylated flavonoids |
| Molecular Formula | C18H16O6 |
| Inchi Key | IHPVFYLOGNNZLA-UHFFFAOYSA-N |
| Rotatable Bond Count | 3.0 |
| State | Solid |
| Synonyms | 2',5-Dimethoxy-6,7-methylenedioxyflavanone, 5,2'-Dimethoxy-6,7-methylenedioxyflavanone, Betagarin |
| Compound Name | Phytoalexin |
| Kingdom | Organic compounds |
| Exact Mass | 328.095 |
| Formal Charge | 0.0 |
| Brenk Violation | False |
| Monoisotopic Mass | 328.095 |
| Hydrogen Bond Acceptor Count | 6.0 |
| Molecular Weight | 328.3 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 1.0 |
| Total Bond Stereocenter Count | 0.0 |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Inchi | InChI=1S/C18H16O6/c1-20-12-6-4-3-5-10(12)13-7-11(19)16-14(24-13)8-15-17(18(16)21-2)23-9-22-15/h3-6,8,13H,7,9H2,1-2H3 |
| Smiles | COC1=CC=CC=C1C2CC(=O)C3=C(C4=C(C=C3O2)OCO4)OC |
| Defined Bond Stereocenter Count | 0.0 |
| Taxonomy Direct Parent | 5-O-methylated flavonoids |
- 1. Outgoing r'ship
FOUND_INto/from Beta Vulgaris (Plant) Rel Props:Source_db:fooddb_chem_all