Obaberine; N2-De-Me, N2'-β-oxide
AlkaPlorer ID: AK308306
Synonym: 2-Norobaberine 2'-β-N-oxide
IUPAC Name: None
Structure
SMILES: COC1=CC=C2C=C1OC1=CC=C(C=C1)CC1C3=C(C=C(OC)C(OC)=C3OC3=CC4=C(C=C3OC)CCNC4C2)CC[N+]1(C)[O-]
InChI: InChI=1S/C37H40N2O7/c1-39(40)15-13-25-20-34(43-4)36(44-5)37-35(25)29(39)17-22-6-9-26(10-7-22)45-32-18-23(8-11-30(32)41-2)16-28-27-21-33(46-37)31(42-3)19-24(27)12-14-38-28/h6-11,18-21,28-29,38H,12-17H2,1-5H3
InChIKey: QMTFEZTXLQFVNQ-UHFFFAOYSA-N
Reference
CAS: 149155-48-6
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Anisocycla cymosa | Anisocycla | Menispermaceae | Ranunculales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 624.7340000000002
TPSA？: 90.47
MolLogP？: 6.832800000000008
Number of H-Donors: 1
Number of H-Acceptors: 8
RingCount: 8
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|