Isotrilobine; N2-De-Me, N2'-β-oxide
AlkaPlorer ID: AK303119
Synonym: O-Methylcocsoline 2'-β-N-oxide
IUPAC Name: None
Structure
SMILES: COC1=CC=C2C=C1OC1=CC=C(C=C1)CC1C3=C(C=C(OC)C4=C3OC3=CC5=C(C=C3O4)CCNC5C2)CC[N+]1(C)[O-]
InChI: InChI=1S/C35H34N2O6/c1-37(38)13-11-23-18-32(40-3)34-35-33(23)27(37)15-20-4-7-24(8-5-20)41-29-16-21(6-9-28(29)39-2)14-26-25-19-31(43-35)30(42-34)17-22(25)10-12-36-26/h4-9,16-19,26-27,36H,10-15H2,1-3H3
InChIKey: SNSDYYPTAUUWIW-UHFFFAOYSA-N
Reference
CAS: 149492-48-8
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Anisocycla cymosa | Anisocycla | Menispermaceae | Ranunculales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 578.6650000000002
TPSA？: 81.24000000000001
MolLogP？: 6.921300000000007
Number of H-Donors: 1
Number of H-Acceptors: 7
RingCount: 9
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|