Maxima isoflavone A
PubChem CID: 343079
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| Compound Synonyms | Maxima isoflavone A, 59092-90-9, Maximaisoflavone A, NSC382026, 7-(1,3-benzodioxol-5-yl)-[1,3]dioxolo[4,5-h]chromen-6-one, NSC 382026, NSC-382026, 7-(1,3-Benzodioxol-5-yl)-6H-(1,3)dioxolo(4,5-h)chromen-6-one, 7-(1,3-Benzodioxol-5-yl)-6H-[1,3]dioxolo[4,5-h]chromen-6-one, DRE2Q7LUA6, CHEMBL2007581, DTXSID40207834, CHEBI:196312, LMPK12050139, NCI60_003636, DS-005885, 6H-1,3-Dioxolo[4,5-h][1]benzopyran-6-one, 7-(1,3-benzodioxol-5-yl)-, 6H-1,3-dioxolo[4,5-h][1]benzopyran-6-one,7-(1,3-benzodioxol-5-yl)-, 7-(1,3-Benzodioxol-5-yl)-6H-1,3-dioxolo[4,5-h][1]benzopyran-6-one, 7-(2H-1,3-BENZODIOXOL-5-YL)-2H,6H-[1,3]DIOXOLO[4,5-H]CHROMEN-6-ONE |
|---|---|
| Ghose Rule | True |
| Classyfire Kingdom | Organic compounds |
| Topological Polar Surface Area | 63.2 |
| Hydrogen Bond Donor Count | 0.0 |
| Pfizer 3 75 Rule | False |
| Scaffold Graph Level | CC1C(C2CCC3CCCC3C2)CCC2C3CCCC3CCC12 |
| Np Classifier Class | Isoflavones |
| Deep Smiles | O=cccocc6cccc6OCO5)))))))))))cccccc6)OCO5 |
| Heavy Atom Count | 23.0 |
| Classyfire Class | Isoflavonoids |
| Scaffold Graph Node Level | OC1C(C2CCC3OCOC3C2)COC2C1CCC1OCOC12 |
| Classyfire Subclass | Isoflav-2-enes |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 531.0 |
| Database Name | imppat_phytochem;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 7-(1,3-benzodioxol-5-yl)-[1,3]dioxolo[4,5-h]chromen-6-one |
| Veber Rule | True |
| Classyfire Superclass | Phenylpropanoids and polyketides |
| Xlogp | 2.8 |
| Gsk 4 400 Rule | True |
| Molecular Formula | C17H10O6 |
| Scaffold Graph Node Bond Level | O=c1c(-c2ccc3c(c2)OCO3)coc2c3c(ccc12)OCO3 |
| Inchi Key | HDEHMKSXXSBSHM-UHFFFAOYSA-N |
| Silicos It Class | Moderately soluble |
| Rotatable Bond Count | 1.0 |
| Synonyms | maxima isoflavone a |
| Esol Class | Soluble |
| Functional Groups | c1cOCO1, c=O, coc |
| Compound Name | Maxima isoflavone A |
| Exact Mass | 310.048 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 310.048 |
| Hydrogen Bond Acceptor Count | 6.0 |
| Molecular Weight | 310.26 |
| Gi Absorption | True |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Lipinski Rule Of 5 | True |
| Inchi | InChI=1S/C17H10O6/c18-15-10-2-4-13-17(23-8-21-13)16(10)19-6-11(15)9-1-3-12-14(5-9)22-7-20-12/h1-6H,7-8H2 |
| Smiles | C1OC2=C(O1)C=C(C=C2)C3=COC4=C(C3=O)C=CC5=C4OCO5 |
| Np Classifier Biosynthetic Pathway | Shikimates and Phenylpropanoids |
| Defined Bond Stereocenter Count | 0.0 |
| Egan Rule | True |
| Np Classifier Superclass | Isoflavonoids |
- 1. Outgoing r'ship
FOUND_INto/from Tephrosia Maxima (Plant) Rel Props:Reference:ISBN:9788185042138