Schizophylline
AlkaPlorer ID: AK313083
Synonym: None
IUPAC Name: methyl 2-(5-methoxy-2,12-diazapentacyclo[10.6.1.01,9.03,8.016,19]nonadeca-3(8),4,6,14-tetraen-16-yl)acetate
Structure
SMILES: COC(=O)CC12C=CCN3CCC4C5=CC=C(OC)C=C5NC4(CC1)C32
InChI: InChI=1S/C21H26N2O3/c1-25-14-4-5-15-16-6-11-23-10-3-7-20(13-18(24)26-2)8-9-21(16,19(20)23)22-17(15)12-14/h3-5,7,12,16,19,22H,6,8-11,13H2,1-2H3
InChIKey: IBDNXNZBNIECNB-UHFFFAOYSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| None | Schizozygia | Apocynaceae | Gentianales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 354.4500000000001
TPSA？: 50.8
MolLogP？: 2.9305000000000003
Number of H-Donors: 1
Number of H-Acceptors: 5
RingCount: 5
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|