(1R,9R,12S,19S)-12-ethyl-8-methyl-8,16-diazapentacyclo[10.6.1.0¹,⁹.0²,⁷.0¹⁶,¹⁹]nonadeca-2(7),3,5-triene
AlkaPlorer ID: AK044581
Synonym: None
IUPAC Name: (1R,9R,12S,19S)-12-ethyl-8-methyl-8,16-diazapentacyclo[10.6.1.01,9.02,7.016,19]nonadeca-2,4,6-triene
Structure
SMILES: CC[C@]12CCCN3CC[C@]4(C5=CC=CC=C5N(C)[C@@H]4CC1)[C@@H]32
InChI: InChI=1S/C20H28N2/c1-3-19-10-6-13-22-14-12-20(18(19)22)15-7-4-5-8-16(15)21(2)17(20)9-11-19/h4-5,7-8,17-18H,3,6,9-14H2,1-2H3/t17-,18+,19+,20-/m1/s1
InChIKey: SNPQKSKEMHGDOU-FUMNGEBKSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Vallesia glabra | Vallesia | Apocynaceae | Gentianales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 296.4580000000001
TPSA？: 6.48
MolLogP？: 3.8011000000000026
Number of H-Donors: 0
Number of H-Acceptors: 2
RingCount: 5
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|