Glaziovine
PubChem CID: 65631
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| Compound Synonyms | Glaziovine, 17127-48-9, Glaziovinum, Glaziovine [INN], Glaziovine, L-, N-Methylcrotsparine, Glaziovina, (+/-)-Glaziovine, Crotsparine, 6-methyl-, Glaziovinum [INN-Latin], Glaziovina [INN-Spanish], UNII-KE7J8A65P6, NSC-146052, KE7J8A65P6, 6'-Hydroxy-5'-methoxy-1'-methyl-2',3',8',8a'-tetrahydro-1'H-spiro[cyclohexa[2,5]diene-1,7'-cyclopenta[ij]isoquinolin]-4-one, NSC 146052, P.M. 297, Suavedol, AI3-34588, DTXSID90864739, NSC141545, 11-hydroxy-10-methoxy-5-methylspiro[5-azatricyclo[6.3.1.04,12]dodeca-1(12),8,10-triene-2,4'-cyclohexa-2,5-diene]-1'-one, Glaziovinum (INN-Latin), Glaziovina (INN-Spanish), Glaziovine (VAN), EINECS 229-883-2, NSC 141545, (+/-)-2',3',8',8a'-Tetrahydro-6'-hydroxy-5'-methoxy-1'-methylspiro[2,5-cyclohexadiene-1,7'(1'H)-cyclopent[ij]isoquinolin]-4-one, Spiro(2,5-cyclohexadiene-1,7'(1'H)-cyclopent(ij)isoquinolin)-4-one, 2',3',8',8'a-tetrahydro-6'-hydroxy-5'-methoxy-1'-methyl-, (+-)-, (+-)-Glaziovine, glaziovinae, 11-hydroxy-10-methoxy-5-methylspiro(5-azatricyclo(6.3.1.04,12)dodeca-1(12),8,10-triene-2,4'-cyclohexa-2,5-diene)-1'-one, Spiro(2,5-cyclohexadiene-1,7'(1'H)-cyclopent(ij)isoquinolin)-4-one, 2',3',8',8'a-tetrahydro-6'-hydroxy-5'-methoxy-1'-methyl-, (S)-, C09457, (.+-.)-Glaziovine, AC1L9CHE, Glaziovine, (.+-.)-, Glaziovine (VAN) (8CI), SCHEMBL554440, CHEMBL1980854, DTXCID90813222, NSC146052, AKOS022181549, NSC-141545, DA-77981, FG171086, NCI60_000910, HY-116590, CS-0065995, NS00124424, Spiro(2,5-cyclohexadiene-1,7'(1'H)-cyclopent(ij)isoquinolin)-4-one, 2',3',8',8'a-tetrahydro-6'-hydroxy-5'-methoxy-1'-methyl-, (+-)-(9CI), Spiro(2,5-cyclohexadiene-1,7'(1'H)-cyclopent(ij)isoquinolin)-4-one, 2',3',8',8'a-tetrahydro-6'-hydroxy-5'-methoxy-1'-methyl-, (S)-(9CI), Spiro[2,5-cyclohexadiene-1,7'(1'H)-cyclopent[ij]isoquinolin]-4-one,2',3',8',8'a-tetrahydro-6'-hydroxy-5'-methoxy-1'-methyl-, Spiro[2,7'(1'H)-cyclopent[ij]isoquinolin]-4-one, 2',3',8',8'a-tetrahydro-6'-hydroxy-5'-methoxy-1'-methyl-, (.+-.)-, Spiro[2,7'(1'H)-cyclopent[ij]isoquinolin]-4-one, 2',3',8',8'a-tetrahydro-6'-hydroxy-5'-methoxy-1'-methyl-, (S)- |
|---|---|
| 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 | CC1CCC2(CC1)CC1CCCC3CCCC2C31 |
| Np Classifier Class | Isoquinoline alkaloids |
| Deep Smiles | COcccCCNCc6cc%10O))CC=CC=O)C=C6)))))C5)))))C |
| Heavy Atom Count | 22.0 |
| Classyfire Class | Proaporphines |
| Scaffold Graph Node Level | OC1CCC2(CC1)CC1NCCC3CCCC2C31 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 524.0 |
| Database Name | hmdb_chem_all;imppat_phytochem;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Uniprot Id | n.a. |
| Iupac Name | 11-hydroxy-10-methoxy-5-methylspiro[5-azatricyclo[6.3.1.04,12]dodeca-1(12),8,10-triene-2,4'-cyclohexa-2,5-diene]-1'-one |
| Class | Proaporphines |
| Veber Rule | True |
| Classyfire Superclass | Alkaloids and derivatives |
| Xlogp | 2.2 |
| Superclass | Alkaloids and derivatives |
| Gsk 4 400 Rule | True |
| Molecular Formula | C18H19NO3 |
| Scaffold Graph Node Bond Level | O=C1C=CC2(C=C1)CC1NCCc3cccc2c31 |
| Inchi Key | PNJUPRNTSWJWAX-UHFFFAOYSA-N |
| Silicos It Class | Soluble |
| Rotatable Bond Count | 1.0 |
| Synonyms | Glaziovine, (+-)-isomer, glaziovine, glaziovine.(+)- |
| Esol Class | Soluble |
| Functional Groups | CN(C)C, O=C1C=CCC=C1, cO, cOC |
| Compound Name | Glaziovine |
| Kingdom | Organic compounds |
| Exact Mass | 297.136 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 297.136 |
| Hydrogen Bond Acceptor Count | 4.0 |
| Molecular Weight | 297.3 |
| Gi Absorption | True |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 1.0 |
| Total Bond Stereocenter Count | 0.0 |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Lipinski Rule Of 5 | True |
| Inchi | InChI=1S/C18H19NO3/c1-19-8-5-11-9-14(22-2)17(21)16-15(11)13(19)10-18(16)6-3-12(20)4-7-18/h3-4,6-7,9,13,21H,5,8,10H2,1-2H3 |
| Smiles | CN1CCC2=CC(=C(C3=C2C1CC34C=CC(=O)C=C4)O)OC |
| Np Classifier Biosynthetic Pathway | Alkaloids |
| Defined Bond Stereocenter Count | 0.0 |
| Egan Rule | True |
| Taxonomy Direct Parent | Proaporphines |
| Np Classifier Superclass | Tyrosine alkaloids |
- 1. Outgoing r'ship
FOUND_INto/from Annona Purpurea (Plant) Rel Props:Reference:ISBN:9788172360481 - 2. Outgoing r'ship
FOUND_INto/from Litsea Cubeba (Plant) Rel Props:Reference:ISBN:9788172362461