2H,10H-[1,3]Dioxolo[4,5-b]xanthen-10-one
PubChem CID: 14189052
Connections displayed (default: 10).
Loading graph...
| Compound Synonyms | 6720-25-8, DTXSID30557158, 2H,10H-[1,3]DIOXOLO[4,5-B]XANTHEN-10-ONE, [1,3]dioxolo[4,5-b]xanthen-10-one, (1,3)dioxolo(4,5-b)xanthen-10-one, 2H,10H-(1,3)Dioxolo(4,5-B)xanthen-10-one, 2,3-methylenedioxyxanthone, SCHEMBL12608762, DTXCID20507940 |
|---|---|
| Ghose Rule | True |
| Classyfire Kingdom | Organic compounds |
| Topological Polar Surface Area | 44.8 |
| Hydrogen Bond Donor Count | 0.0 |
| Pfizer 3 75 Rule | False |
| Scaffold Graph Level | CC1C2CCCCC2CC2CC3CCCC3CC21 |
| Np Classifier Class | Plant xanthones |
| Deep Smiles | O=ccccOCOc5cc9occ%13cccc6 |
| Heavy Atom Count | 18.0 |
| Classyfire Class | Benzopyrans |
| Scaffold Graph Node Level | OC1C2CCCCC2OC2CC3OCOC3CC21 |
| Classyfire Subclass | 1-benzopyrans |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 356.0 |
| Database Name | imppat_phytochem;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | [1,3]dioxolo[4,5-b]xanthen-10-one |
| Veber Rule | True |
| Classyfire Superclass | Organoheterocyclic compounds |
| Xlogp | 3.2 |
| Gsk 4 400 Rule | True |
| Molecular Formula | C14H8O4 |
| Scaffold Graph Node Bond Level | O=c1c2ccccc2oc2cc3c(cc12)OCO3 |
| Inchi Key | FOINFNBKTYKBJH-UHFFFAOYSA-N |
| Silicos It Class | Moderately soluble |
| Rotatable Bond Count | 0.0 |
| Synonyms | 2,3-methylenedioxy-xanthone, 2,3-methylenedioxyxanthone, 2,3-methylenedioxyxanthones |
| Esol Class | Soluble |
| Functional Groups | c1cOCO1, c=O, coc |
| Compound Name | 2H,10H-[1,3]Dioxolo[4,5-b]xanthen-10-one |
| Exact Mass | 240.042 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 240.042 |
| Hydrogen Bond Acceptor Count | 4.0 |
| Molecular Weight | 240.21 |
| 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/C14H8O4/c15-14-8-3-1-2-4-10(8)18-11-6-13-12(5-9(11)14)16-7-17-13/h1-6H,7H2 |
| Smiles | C1OC2=C(O1)C=C3C(=C2)C(=O)C4=CC=CC=C4O3 |
| Np Classifier Biosynthetic Pathway | Shikimates and Phenylpropanoids |
| Defined Bond Stereocenter Count | 0.0 |
| Egan Rule | True |
| Np Classifier Superclass | Xanthones |
- 1. Outgoing r'ship
FOUND_INto/from Hypericum Mysorense (Plant) Rel Props:Reference:ISBN:9788185042138