2-Isopropenylnaphtho[2,3-b]furan-4,9-dione
PubChem CID: 637335
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| Compound Synonyms | 2-isopropenylnaphtho[2,3-b]furan-4,9-dione, 18635-24-0, CHEMBL484359, SCHEMBL16917433, DTXSID70940065, 2-isopropenyl naphtho[2,3-b]furan-4,9-quinone, 2-(1\'Methylethenyl)naphtho[2,3-b]furan-4,9-dione, naphtho[2,3-b]furan-4,9-dione, 2-(1-methylethenyl)-, 2-Isopropenyl-2,3-dihydro-naphtho[2,3-b]furan-4,9-dione, 2-(PROP-1-EN-2-YL)NAPHTHO[2,3-B]FURAN-4,9-DIONE, InChI=1/C15H10O3/c1-8(2)12-7-11-13(16)9-5-3-4-6-10(9)14(17)15(11)18-12/h3-7H,1H2,2H |
|---|---|
| Ghose Rule | True |
| Classyfire Kingdom | Organic compounds |
| Topological Polar Surface Area | 47.3 |
| Hydrogen Bond Donor Count | 0.0 |
| Pfizer 3 75 Rule | False |
| Scaffold Graph Level | CC1C2CCCCC2C(C)C2CCCC12 |
| Np Classifier Class | Naphthoquinones |
| Deep Smiles | CC=C)cccco5)C=O)ccC6=O))cccc6 |
| Heavy Atom Count | 18.0 |
| Classyfire Class | Naphthofurans |
| Scaffold Graph Node Level | OC1C2CCCCC2C(O)C2OCCC12 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 412.0 |
| Database Name | imppat_phytochem;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 2-prop-1-en-2-ylbenzo[f][1]benzofuran-4,9-dione |
| Veber Rule | True |
| Classyfire Superclass | Organoheterocyclic compounds |
| Xlogp | 3.7 |
| Gsk 4 400 Rule | True |
| Molecular Formula | C15H10O3 |
| Scaffold Graph Node Bond Level | O=C1c2ccccc2C(=O)c2occc21 |
| Inchi Key | JIXOWAXGILXNLY-UHFFFAOYSA-N |
| Silicos It Class | Moderately soluble |
| Rotatable Bond Count | 1.0 |
| Synonyms | 2-isopropenylnaphtho[2,3-b]-furan-4,9-dione, 2-isopropenylnaphtho[2,3-b]furan-4,9-dione |
| Esol Class | Moderately soluble |
| Functional Groups | cC(=C)C, cC(c)=O, coc |
| Compound Name | 2-Isopropenylnaphtho[2,3-b]furan-4,9-dione |
| Exact Mass | 238.063 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 238.063 |
| Hydrogen Bond Acceptor Count | 3.0 |
| Molecular Weight | 238.24 |
| 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/C15H10O3/c1-8(2)12-7-11-13(16)9-5-3-4-6-10(9)14(17)15(11)18-12/h3-7H,1H2,2H3 |
| Smiles | CC(=C)C1=CC2=C(O1)C(=O)C3=CC=CC=C3C2=O |
| Np Classifier Biosynthetic Pathway | Polyketides |
| Defined Bond Stereocenter Count | 0.0 |
| Egan Rule | True |
| Np Classifier Superclass | Naphthalenes |
- 1. Outgoing r'ship
FOUND_INto/from Crescentia Cujete (Plant) Rel Props:Reference:ISBN:9788185042145