(1R,9R,12R,19R)-12-ethyl-6-methoxy-8,16-diazapentacyclo[10.6.1.0¹,⁹.0²,⁷.0¹⁶,¹⁹]nonadeca-2(7),3,5-triene
AlkaPlorer ID: AK258625
Synonym: None
IUPAC Name: (1R,9R,12R,19R)-12-ethyl-6-methoxy-8,16-diazapentacyclo[10.6.1.01,9.02,7.016,19]nonadeca-2(7),3,5-triene
Structure
SMILES: CC[C@@]12CCCN3CC[C@]4(C5=CC=CC(OC)=C5N[C@@H]4CC1)[C@H]32
InChI: InChI=1S/C20H28N2O/c1-3-19-9-5-12-22-13-11-20(18(19)22)14-6-4-7-15(23-2)17(14)21-16(20)8-10-19/h4,6-7,16,18,21H,3,5,8-13H2,1-2H3/t16-,18-,19-,20-/m1/s1
InChIKey: NGBPTTMEDUDCAG-VBSBHUPXSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Vallesia glabra | Vallesia | Apocynaceae | Gentianales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 312.45700000000005
TPSA？: 24.5
MolLogP？: 3.7854000000000014
Number of H-Donors: 1
Number of H-Acceptors: 3
RingCount: 5
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|