Oxypalmatine
PubChem CID: 10926678
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| Compound Synonyms | Oxypalmatine, 8-Oxypalmatine, 19716-59-7, 8-oxoypalMatine, 2,3,9,10-tetramethoxy-5,6-dihydroisoquinolino[2,1-b]isoquinolin-8-one, 2,3,9,10-Tetramethoxy-5H-isoquinolino[3,2-a]isoquinolin-8(6H)-one, CHEMBL3950972, HY-N7498, AKOS040760255, DA-76523, MS-25882, CS-0131100, G14113, 3,4,10,11-tetramethoxy-7,8-dihydro-6-azatetraphen-5-one |
|---|---|
| Ghose Rule | True |
| Classyfire Kingdom | Organic compounds |
| Topological Polar Surface Area | 57.2 |
| Hydrogen Bond Donor Count | 0.0 |
| Pfizer 3 75 Rule | False |
| Scaffold Graph Level | CC1C2CCCCC2CC2C3CCCCC3CCC12 |
| Np Classifier Class | Protoberberine alkaloids |
| Deep Smiles | COcccCCnc-c6cc%10OC)))))cccc6=O))cOC))ccc6))OC |
| Heavy Atom Count | 27.0 |
| Classyfire Class | Isoquinolines and derivatives |
| Scaffold Graph Node Level | OC1C2CCCCC2CC2C3CCCCC3CCN12 |
| Classyfire Subclass | Isoquinolones and derivatives |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 593.0 |
| Database Name | imppat_phytochem;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Uniprot Id | n.a. |
| Iupac Name | 2,3,9,10-tetramethoxy-5,6-dihydroisoquinolino[2,1-b]isoquinolin-8-one |
| Veber Rule | True |
| Classyfire Superclass | Organoheterocyclic compounds |
| Xlogp | 3.1 |
| Gsk 4 400 Rule | True |
| Molecular Formula | C21H21NO5 |
| Scaffold Graph Node Bond Level | O=c1c2ccccc2cc2n1CCc1ccccc1-2 |
| Inchi Key | MZIUUCTTWZPXOV-UHFFFAOYSA-N |
| Silicos It Class | Poorly soluble |
| Rotatable Bond Count | 4.0 |
| Synonyms | oxypalmatine |
| Esol Class | Moderately soluble |
| Functional Groups | c=O, cOC, cn(c)C |
| Compound Name | Oxypalmatine |
| Exact Mass | 367.142 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 367.142 |
| Hydrogen Bond Acceptor Count | 5.0 |
| Molecular Weight | 367.4 |
| 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/C21H21NO5/c1-24-16-6-5-13-9-15-14-11-18(26-3)17(25-2)10-12(14)7-8-22(15)21(23)19(13)20(16)27-4/h5-6,9-11H,7-8H2,1-4H3 |
| Smiles | COC1=C(C2=C(C=C1)C=C3C4=CC(=C(C=C4CCN3C2=O)OC)OC)OC |
| Np Classifier Biosynthetic Pathway | Alkaloids |
| Defined Bond Stereocenter Count | 0.0 |
| Egan Rule | True |
| Np Classifier Superclass | Tyrosine alkaloids |
- 1. Outgoing r'ship
FOUND_INto/from Anamirta Cocculus (Plant) Rel Props:Reference:ISBN:9788185042145 - 2. Outgoing r'ship
FOUND_INto/from Coscinium Fenestratum (Plant) Rel Props:Reference:ISBN:9788172362133; ISBN:9788185042145 - 3. Outgoing r'ship
FOUND_INto/from Polyalthia Cerasoides (Plant) Rel Props:Source_db:npass_chem_all