2,3,10,11-Berbinetetrol; (S)-form, 2,10,11-Tri-Me ether, N-oxide
AlkaPlorer ID: AK290533
Synonym: Discretine N-oxide
IUPAC Name: 2,10,11-trimethoxy-7-oxido-6,8,13,13a-tetrahydro-5H-isoquinolino[2,1-b]isoquinolin-7-ium-3-ol
Structure
SMILES: COC1=CC2=C(C=C1O)CC[N+]1([O-])CC3=CC(OC)=C(OC)C=C3CC21
InChI: InChI=1S/C20H23NO5/c1-24-18-10-15-12(7-17(18)22)4-5-21(23)11-14-9-20(26-3)19(25-2)8-13(14)6-16(15)21/h7-10,16,22H,4-6,11H2,1-3H3
InChIKey: VVJSPQNTUBTZOK-UHFFFAOYSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| None | Desmos | Annonaceae | Magnoliales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 357.4060000000001
TPSA？: 70.98
MolLogP？: 3.086100000000002
Number of H-Donors: 1
Number of H-Acceptors: 5
RingCount: 4
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|