4H-Furo[3,2-g][1]benzopyran-4,9(5H)-dione, 2,3,6,7-tetrahydro-3-methyl-6-(1-methylethyl)-
PubChem CID: 621732
Connections displayed (default: 10).
Loading graph...
| Compound Synonyms | FCVVXPCXLOPFAF-UHFFFAOYSA-N, 4H-Furo[3,2-g][1]benzopyran-4,9(5H)-dione, 2,3,6,7-tetrahydro-3-methyl-6-(1-methylethyl)-, 6-Isopropyl-3-methyl-2,3,6,7-tetrahydro-4H-furo[3,2-g]chromene-4,9(5H)-dione # |
|---|---|
| Ghose Rule | True |
| Classyfire Kingdom | Organic compounds |
| Topological Polar Surface Area | 52.6 |
| Hydrogen Bond Donor Count | 0.0 |
| Pfizer 3 75 Rule | False |
| Scaffold Graph Level | CC1C2CCCCC2C(C)C2CCCC12 |
| Np Classifier Class | Cadinane sesquiterpenoids |
| Deep Smiles | CCCCOC=CC6)C=O)C=CC6=O))OCC5C))))))))))))C |
| Heavy Atom Count | 19.0 |
| Classyfire Class | Dihydrofurans |
| Scaffold Graph Node Level | OC1C2CCCOC2C(O)C2OCCC12 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 524.0 |
| Database Name | imppat_phytochem;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 3-methyl-6-propan-2-yl-3,5,6,7-tetrahydro-2H-furo[3,2-g]chromene-4,9-dione |
| Veber Rule | True |
| Classyfire Superclass | Organoheterocyclic compounds |
| Xlogp | 2.4 |
| Gsk 4 400 Rule | True |
| Molecular Formula | C15H18O4 |
| Scaffold Graph Node Bond Level | O=C1C2=C(OCCC2)C(=O)C2=C1CCO2 |
| Inchi Key | FCVVXPCXLOPFAF-UHFFFAOYSA-N |
| Silicos It Class | Soluble |
| Rotatable Bond Count | 1.0 |
| Synonyms | dihydroscabequinone |
| Esol Class | Soluble |
| Functional Groups | COC1=C(C)C(=O)C2=C(OCC2)C1=O |
| Compound Name | 4H-Furo[3,2-g][1]benzopyran-4,9(5H)-dione, 2,3,6,7-tetrahydro-3-methyl-6-(1-methylethyl)- |
| Exact Mass | 262.121 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 262.121 |
| Hydrogen Bond Acceptor Count | 4.0 |
| Molecular Weight | 262.3 |
| Gi Absorption | True |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 2.0 |
| Total Bond Stereocenter Count | 0.0 |
| Lipinski Rule Of 5 | True |
| Inchi | InChI=1S/C15H18O4/c1-7(2)9-4-10-12(16)11-8(3)5-18-15(11)13(17)14(10)19-6-9/h7-9H,4-6H2,1-3H3 |
| Smiles | CC1COC2=C1C(=O)C3=C(C2=O)OCC(C3)C(C)C |
| Np Classifier Biosynthetic Pathway | Terpenoids |
| Defined Bond Stereocenter Count | 0.0 |
| Egan Rule | True |
| Np Classifier Superclass | Sesquiterpenoids |
- 1. Outgoing r'ship
FOUND_INto/from Cyperus Distans (Plant) Rel Props:Reference:ISBN:9788185042084