Vobtusine; 3'-Oxo, N4-oxide
AlkaPlorer ID: AK317835
Synonym: 3'-Oxovobtusine N-oxide
IUPAC Name: None
Structure
SMILES: COC(=O)C1=C2NC3=CC=CC=C3C23CCN2C(=O)C4(CC5CC67CCOC6CC[N+]6([O-])CCC8(C9=CC=CC(OC)=C9N(C4)C58O)C76)C4OCCC4(C1)C23
InChI: InChI=1S/C43H48N4O8/c1-52-29-9-5-7-27-31(29)46-23-40(21-24-20-38-13-18-54-30(38)10-16-47(51)17-12-42(27,35(38)47)43(24,46)50)36-39(14-19-55-36)22-25(33(48)53-2)32-41(11-15-45(34(39)41)37(40)49)26-6-3-4-8-28(26)44-32/h3-9,24,30,34-36,44,50H,10-23H2,1-2H3
InChIKey: CUSQNXIDWSRALE-UHFFFAOYSA-N
Reference
CAS: 50924-05-5
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Voacanga thouarsii | Voacanga | Apocynaceae | Gentianales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 748.8770000000002
TPSA？: 132.86
MolLogP？: 3.701600000000002
Number of H-Donors: 2
Number of H-Acceptors: 10
RingCount: 13
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|