10-Hydroxycanthin-6-one
PubChem CID: 158929
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| Compound Synonyms | 10-hydroxycanthin-6-one, 86293-41-6, ervine, CHEBI:66064, NSC-341583, 12-hydroxy-1,6-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-3,5(16),6,8,10,12,14-heptaen-2-one, 10-Hydroxy-6H-indolo[3,2,1-de][1,5]naphthyridin-6-one, 6H-Indolo(3,2,1-de)(1,5)naphthyridin-6-one, 10-hydroxy-, 6H-Indolo[3,2,1-de][1,5]naphthyridin-6-one, 10-hydroxy-, NSC341583, CHEMBL454311, DTXSID40235475, AKOS040760903, FS-8131, NSC 341583, DS-009067, CANTHIN-6-ONE, HYDROXY-K-215 B815099, Q27134576, 6H-indolo[3,2,1-de][1,5]naphthyridin-6-one,10-hydroxy-, 12-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 | 55.1 |
| Hydrogen Bond Donor Count | 1.0 |
| Pfizer 3 75 Rule | False |
| Scaffold Graph Level | CC1CCC2CCCC3C4CCCCC4C1C23 |
| Np Classifier Class | Carboline alkaloids |
| Deep Smiles | Occcccc6)cccncc6n9c=O)cc6 |
| Heavy Atom Count | 18.0 |
| Classyfire Class | Indolonaphthyridine alkaloids |
| Scaffold Graph Node Level | OC1CCC2NCCC3C4CCCCC4N1C23 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 409.0 |
| Database Name | cmaup_ingredients;imppat_phytochem;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 12-hydroxy-1,6-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-3,5(16),6,8,10,12,14-heptaen-2-one |
| Prediction Hob | 1.0 |
| Veber Rule | True |
| Classyfire Superclass | Alkaloids and derivatives |
| Xlogp | 2.1 |
| Gsk 4 400 Rule | True |
| Molecular Formula | C14H8N2O2 |
| Scaffold Graph Node Bond Level | O=c1ccc2nccc3c4ccccc4n1c23 |
| Prediction Swissadme | 0.0 |
| Inchi Key | FZLISVGXWLVEPB-UHFFFAOYSA-N |
| Silicos It Class | Moderately soluble |
| Fcsp3 | 0.0 |
| Logs | -3.731 |
| Rotatable Bond Count | 0.0 |
| Logd | 2.002 |
| Synonyms | aervine |
| Esol Class | Soluble |
| Functional Groups | c=O, cO, cn(c)c, cnc |
| Compound Name | 10-Hydroxycanthin-6-one |
| Prediction Hob Swissadme | 0.0 |
| 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 |
| Esol | -4.457203777777778 |
| Inchi | InChI=1S/C14H8N2O2/c17-8-1-3-12-10(7-8)9-5-6-15-11-2-4-13(18)16(12)14(9)11/h1-7,17H |
| Smiles | C1=CC2=C(C=C1O)C3=C4N2C(=O)C=CC4=NC=C3 |
| Nring | 4.0 |
| Np Classifier Biosynthetic Pathway | Alkaloids |
| Defined Bond Stereocenter Count | 0.0 |
| Egan Rule | True |
| Np Classifier Superclass | Tryptophan alkaloids |
- 1. Outgoing r'ship
FOUND_INto/from Aerva Lanata (Plant) Rel Props:Reference:ISBN:9788185042145 - 2. Outgoing r'ship
FOUND_INto/from Simaba Multiflora (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all