Glycosolone
PubChem CID: 155059
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| Compound Synonyms | Glycosolone, 67879-81-6, 8-hydroxy-4-methoxy-1-methyl-3-(3-methylbut-2-enyl)quinolin-2-one, C16H19NO3, 2(1H)-Quinolinone, 8-hydroxy-4-methoxy-1-methyl-3-(3-methyl-2-butenyl)-, DTXSID60218104, HY-N3958, SCA87981, AKOS032949023, DA-53630, CS-0024519, NS00067925, 2(1H)-Quinolinone, 8-hydroxy-4-methoxy-1-methyl-3-(3-methyl-2-buten-1-yl)- |
|---|---|
| Ghose Rule | True |
| Classyfire Kingdom | Organic compounds |
| Topological Polar Surface Area | 49.8 |
| Hydrogen Bond Donor Count | 1.0 |
| Pfizer 3 75 Rule | False |
| Scaffold Graph Level | CC1CCC2CCCCC2C1 |
| Np Classifier Class | Quinoline alkaloids |
| Deep Smiles | COccCC=CC)C))))c=O)ncc6cccc6O)))))))C |
| Heavy Atom Count | 20.0 |
| Classyfire Class | Quinolines and derivatives |
| Scaffold Graph Node Level | OC1CCC2CCCCC2N1 |
| Classyfire Subclass | Quinolones and derivatives |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 449.0 |
| Database Name | imppat_phytochem;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 8-hydroxy-4-methoxy-1-methyl-3-(3-methylbut-2-enyl)quinolin-2-one |
| Veber Rule | True |
| Classyfire Superclass | Organoheterocyclic compounds |
| Xlogp | 2.8 |
| Gsk 4 400 Rule | True |
| Molecular Formula | C16H19NO3 |
| Scaffold Graph Node Bond Level | O=c1ccc2ccccc2[nH]1 |
| Inchi Key | KBMGLVFFJUCSBR-UHFFFAOYSA-N |
| Silicos It Class | Soluble |
| Rotatable Bond Count | 3.0 |
| Synonyms | glycosolone |
| Esol Class | Soluble |
| Functional Groups | CC=C(C)C, c=O, cO, cOC, cn(c)C |
| Compound Name | Glycosolone |
| Exact Mass | 273.136 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 273.136 |
| Hydrogen Bond Acceptor Count | 3.0 |
| Molecular Weight | 273.33 |
| 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/C16H19NO3/c1-10(2)8-9-12-15(20-4)11-6-5-7-13(18)14(11)17(3)16(12)19/h5-8,18H,9H2,1-4H3 |
| Smiles | CC(=CCC1=C(C2=C(C(=CC=C2)O)N(C1=O)C)OC)C |
| Np Classifier Biosynthetic Pathway | Alkaloids |
| Defined Bond Stereocenter Count | 0.0 |
| Egan Rule | True |
| Np Classifier Superclass | Tryptophan alkaloids, Anthranilic acid alkaloids |
- 1. Outgoing r'ship
FOUND_INto/from Glycosmis Pentaphylla (Plant) Rel Props:Reference:ISBN:9788172360818; ISBN:9788185042084