11-Hydroxycanthin-6-one
PubChem CID: 337601
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| Compound Synonyms | 11-Hydroxycanthin-6-one, 75969-83-4, Amalorin, CHEBI:715, 1,6-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-3,5(16),7,9,12,14-hexaene-2,11-dione, MLS000574959, C09212, AC1L7M1T, 11-hydroxy-canthin-6-one, CHEMBL504142, DTXSID50320200, CHEBI:165177, HMS2268C24, NSC356209, AKOS040760914, CANTHIN-6-ONE, 11-HYDROXY-, FS-7526, NSC-356209, DA-59841, SMR001215921, HY-116786, CS-0066515, E88906, Q27105336, 11-hydroxy-1,6-diazatetracyclo[7.6.1.0?,??.0??,??]hexadeca-3,5,7,9(16),10(15),11,13-heptaen-2-one |
|---|---|
| Ghose Rule | True |
| Classyfire Kingdom | Organic compounds |
| Topological Polar Surface Area | 49.4 |
| Hydrogen Bond Donor Count | 1.0 |
| Pfizer 3 75 Rule | False |
| Scaffold Graph Level | CC1CCCC2C1C1CCCC3CCC(C)C2C31 |
| Np Classifier Class | Carboline alkaloids |
| Deep Smiles | O=cccccc6ccc[nH]cc6n9c=O)cc6 |
| Heavy Atom Count | 18.0 |
| Classyfire Class | Indolonaphthyridine alkaloids |
| Scaffold Graph Node Level | OC1CCCC2C1C1CCNC3CCC(O)N2C31 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 699.0 |
| Database Name | imppat_phytochem;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 1,6-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-3,5(16),7,9,12,14-hexaene-2,11-dione |
| Veber Rule | True |
| Classyfire Superclass | Alkaloids and derivatives |
| Xlogp | 0.4 |
| Gsk 4 400 Rule | True |
| Molecular Formula | C14H8N2O2 |
| Scaffold Graph Node Bond Level | O=c1cccc2c1c1cc[nH]c3ccc(=O)n2c31 |
| Inchi Key | IZNXKZBIIFOWPU-UHFFFAOYSA-N |
| Silicos It Class | Moderately soluble |
| Rotatable Bond Count | 0.0 |
| Synonyms | 11-hydroxycanthin-6-one |
| Esol Class | Soluble |
| Functional Groups | c=O, c[nH]c, cn(c)c |
| Compound Name | 11-Hydroxycanthin-6-one |
| Exact Mass | 236.059 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 236.059 |
| Hydrogen Bond Acceptor Count | 3.0 |
| Molecular Weight | 236.22 |
| 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/C14H8N2O2/c17-11-3-1-2-10-13(11)8-6-7-15-9-4-5-12(18)16(10)14(8)9/h1-7,15H |
| Smiles | C1=CC(=O)C2=C3C=CNC4=C3N(C2=C1)C(=O)C=C4 |
| Np Classifier Biosynthetic Pathway | Alkaloids |
| Defined Bond Stereocenter Count | 0.0 |
| Egan Rule | True |
| Np Classifier Superclass | Tryptophan alkaloids |
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FOUND_INto/from Brucea Javanica (Plant) Rel Props:Reference:ISBN:9788185042145