Maxima isoflavone D
PubChem CID: 343081
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| Compound Synonyms | Maxima isoflavone D, Maximaisoflavone D, 94413-08-8, NSC382028, 7-(3,4-dimethoxyphenyl)-[1,3]dioxolo[4,5-h]chromen-6-one, NSC 382028, 7-(3,4-Dimethoxyphenyl)-6H-(1,3)dioxolo(4,5-h)chromen-6-one, NSC-382028, 7,8-Methylenedioxy-3',4'-dimethoxyisoflavone, 7-(3,4-Dimethoxyphenyl)-6H-[1,3]dioxolo[4,5-h]chromen-6-one, DW6F3M65F9, CHEMBL1967131, DTXSID00241476, CHEBI:196327, LMPK12050144, NCI60_003638, DS-009163, 6H-1,3-Dioxolo[4,5-h][1]benzopyran-6-one, 7-(3,4-dimethoxyphenyl)-, 7-(3,4-DIMETHOXYPHENYL)-2H,6H-[1,3]DIOXOLO[4,5-H]CHROMEN-6-ONE, 7-(3,4-Dimethoxyphenyl)-6H-1,3-dioxolo[4,5-h][1]benzopyran-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(C2CCCCC2)CCC2C3CCCC3CCC12 |
| Np Classifier Class | Isoflavones |
| Deep Smiles | COcccccc6OC)))))ccoccc6=O))cccc6OCO5 |
| Heavy Atom Count | 24.0 |
| Classyfire Class | Isoflavonoids |
| Scaffold Graph Node Level | OC1C(C2CCCCC2)COC2C1CCC1OCOC12 |
| Classyfire Subclass | O-methylated isoflavonoids |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 518.0 |
| Database Name | imppat_phytochem;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 7-(3,4-dimethoxyphenyl)-[1,3]dioxolo[4,5-h]chromen-6-one |
| Veber Rule | True |
| Classyfire Superclass | Phenylpropanoids and polyketides |
| Xlogp | 2.9 |
| Gsk 4 400 Rule | True |
| Molecular Formula | C18H14O6 |
| Scaffold Graph Node Bond Level | O=c1c(-c2ccccc2)coc2c3c(ccc12)OCO3 |
| Inchi Key | BURSEYYMJTXRQK-UHFFFAOYSA-N |
| Silicos It Class | Poorly soluble |
| Rotatable Bond Count | 3.0 |
| Synonyms | maxima isoflavone d |
| Esol Class | Moderately soluble |
| Functional Groups | c1cOCO1, c=O, cOC, coc |
| Compound Name | Maxima isoflavone D |
| Exact Mass | 326.079 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 326.079 |
| Hydrogen Bond Acceptor Count | 6.0 |
| Molecular Weight | 326.3 |
| 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/C18H14O6/c1-20-13-5-3-10(7-15(13)21-2)12-8-22-17-11(16(12)19)4-6-14-18(17)24-9-23-14/h3-8H,9H2,1-2H3 |
| Smiles | COC1=C(C=C(C=C1)C2=COC3=C(C2=O)C=CC4=C3OCO4)OC |
| 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