Benz[b]indeno[1,2-e]pyran-6,11-dione
PubChem CID: 10422105
Connections displayed (default: 10).
Loading graph...
| Compound Synonyms | Wrightiadione, Benz[b]indeno[1,2-e]pyran-6,11-dione, 148180-61-4, INDENO[2,1-B]CHROMENE-6,11-DIONE, KWW2264QDT, UNII-KWW2264QDT, Benz(b)indeno(1,2-E)pyran-6,11-dione, CHEMBL3629616, Indeno(2,1-b)chromene-6,11-dione, 6H,11H-Indeno(2,1-b)chromene-6,11-dione, 6H,11H-INDENO[2,1-B]CHROMENE-6,11-DIONE, DTXSID70439666, BDBM50128509 |
|---|---|
| Ghose Rule | True |
| Classyfire Kingdom | Organic compounds |
| Topological Polar Surface Area | 43.4 |
| Hydrogen Bond Donor Count | 0.0 |
| Pfizer 3 75 Rule | False |
| Scaffold Graph Level | CC1C2CCCCC2C2C(C)C3CCCCC3CC12 |
| Deep Smiles | O=Ccccccc6-cc9occcccc6c%10=O |
| Heavy Atom Count | 19.0 |
| Classyfire Class | Isoflavonoids |
| Scaffold Graph Node Level | OC1C2CCCCC2C2C(O)C3CCCCC3OC12 |
| Classyfire Subclass | Isoflav-2-enes |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 476.0 |
| Database Name | imppat_phytochem;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | indeno[2,1-b]chromene-6,11-dione |
| Veber Rule | True |
| Classyfire Superclass | Phenylpropanoids and polyketides |
| Xlogp | 2.9 |
| Gsk 4 400 Rule | True |
| Molecular Formula | C16H8O3 |
| Scaffold Graph Node Bond Level | O=C1c2ccccc2-c2c1oc1ccccc1c2=O |
| Inchi Key | CXXCRLLJRGEAJV-UHFFFAOYSA-N |
| Silicos It Class | Poorly soluble |
| Rotatable Bond Count | 0.0 |
| Synonyms | benz[b]indeno[1,2-e]pyran-6,11-dione, wrightiadione, wrightiadione (isoflavone) |
| Esol Class | Soluble |
| Functional Groups | c=O, cC(c)=O, coc |
| Compound Name | Benz[b]indeno[1,2-e]pyran-6,11-dione |
| Exact Mass | 248.047 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 248.047 |
| Hydrogen Bond Acceptor Count | 3.0 |
| Molecular Weight | 248.23 |
| 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/C16H8O3/c17-14-11-7-3-4-8-12(11)19-16-13(14)9-5-1-2-6-10(9)15(16)18/h1-8H |
| Smiles | C1=CC=C2C(=C1)C3=C(C2=O)OC4=CC=CC=C4C3=O |
| Np Classifier Biosynthetic Pathway | Shikimates and Phenylpropanoids |
| Defined Bond Stereocenter Count | 0.0 |
| Egan Rule | True |
- 1. Outgoing r'ship
FOUND_INto/from Wrightia Arborea (Plant) Rel Props:Reference:ISBN:9788172361150; ISBN:9788185042145