Glaudine
PubChem CID: 633491
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| Compound Synonyms | Glaudine, Oreodine, (+)-Oreodine, 11,16,17-trimethoxy-22-methyl-6,8,12-trioxa-22-azapentacyclo[11.9.0.0^{2,10}.0^{5,9}.0^{14,19}]docosa-2(10),3,5(9),14,16,18-hexaene, 11,16,17-trimethoxy-22-methyl-6,8,12-trioxa-22-azapentacyclo[11.9.0.02,10.05,9.014,19]docosa-2(10),3,5(9),14,16,18-hexaene, 11,16,17-trimethoxy-22-methyl-6,8,12-trioxa-22-azapentacyclo(11.9.0.0^(2,10).0^(5,9).0^(14,19))docosa-2(10),3,5(9),14,16,18-hexaene, 11,16,17-trimethoxy-22-methyl-6,8,12-trioxa-22-azapentacyclo(11.9.0.02,10.05,9.014,19)docosa-2(10),3,5(9),14,16,18-hexaene, N-Methylpapaverrubine B, O,N-Dimethylporphyroxine, O,N-Dimethylpapaverrubine D, CHEBI:191803, STJFYCWYHROASW-UHFFFAOYSA-N, 1,3-Dioxolo[7,8][2]benzopyrano[3,4-a][3]benzazepine, rheadan deriv., Rheadan, 2,3,8-trimethoxy-16-methyl-10,11-[methylenebis(oxy)]-, (8.beta.)-, 10,11,14-Trimethoxy-6-methyl-5b,6,7,8,12b,14-hexahydro[1,3]dioxolo[4',5':7,8]isochromeno[3,4-a][3]benzazepine # |
|---|---|
| Ghose Rule | True |
| Classyfire Kingdom | Organic compounds |
| Topological Polar Surface Area | 58.6 |
| Hydrogen Bond Donor Count | 0.0 |
| Pfizer 3 75 Rule | False |
| Scaffold Graph Level | C1CCC2C(C1)CCCC1C2CCC2C3CCCC3CCC21 |
| Np Classifier Class | Isoquinoline alkaloids |
| Deep Smiles | COCOCcccOC))ccc6CCNC%11cc%15cOCOc5cc9))))))))))C))))))OC |
| Heavy Atom Count | 29.0 |
| Classyfire Class | Rhoeadine alkaloids |
| Scaffold Graph Node Level | C1CCC2C(C1)CCNC1C3CCC4OCOC4C3COC21 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 578.0 |
| Database Name | hmdb_chem_all;imppat_phytochem;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 11,16,17-trimethoxy-22-methyl-6,8,12-trioxa-22-azapentacyclo[11.9.0.02,10.05,9.014,19]docosa-2(10),3,5(9),14,16,18-hexaene |
| Class | Rhoeadine alkaloids |
| Veber Rule | True |
| Classyfire Superclass | Alkaloids and derivatives |
| Xlogp | 2.5 |
| Superclass | Alkaloids and derivatives |
| Gsk 4 400 Rule | True |
| Molecular Formula | C22H25NO6 |
| Scaffold Graph Node Bond Level | c1ccc2c(c1)CCNC1c3ccc4c(c3COC21)OCO4 |
| Inchi Key | STJFYCWYHROASW-UHFFFAOYSA-N |
| Silicos It Class | Moderately soluble |
| Rotatable Bond Count | 3.0 |
| State | Solid |
| Synonyms | N-Methylpapaverrubine b, O,N-Dimethylpapaverrubine D, O,N-Dimethylporphyroxine, Oreodine, glaudine |
| Esol Class | Moderately soluble |
| Functional Groups | CN(C)C, c1cOCO1, cC(OC)OC, cOC |
| Compound Name | Glaudine |
| Kingdom | Organic compounds |
| Exact Mass | 399.168 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 399.168 |
| Hydrogen Bond Acceptor Count | 7.0 |
| Molecular Weight | 399.4 |
| Gi Absorption | True |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 3.0 |
| Total Bond Stereocenter Count | 0.0 |
| Lipinski Rule Of 5 | True |
| Inchi | InChI=1S/C22H25NO6/c1-23-8-7-12-9-16(24-2)17(25-3)10-14(12)20-19(23)13-5-6-15-21(28-11-27-15)18(13)22(26-4)29-20/h5-6,9-10,19-20,22H,7-8,11H2,1-4H3 |
| Smiles | CN1CCC2=CC(=C(C=C2C3C1C4=C(C(O3)OC)C5=C(C=C4)OCO5)OC)OC |
| Np Classifier Biosynthetic Pathway | Alkaloids |
| Defined Bond Stereocenter Count | 0.0 |
| Egan Rule | True |
| Taxonomy Direct Parent | Rhoeadine alkaloids |
| Np Classifier Superclass | Tyrosine alkaloids |
- 1. Outgoing r'ship
FOUND_INto/from Papaver Rhoeas (Plant) Rel Props:Reference:ISBN:9788185042053 - 2. Outgoing r'ship
FOUND_INto/from Papaver Somniferum (Plant) Rel Props:Reference:https://doi.org/10.2174/0929867033456729