1-[(1R,9R,12S,19S)-12-ethyl-6-hydroxy-8,16-diazapentacyclo[10.6.1.0¹,⁹.0²,⁷.0¹⁶,¹⁹]nonadeca-2(7),3,5-trien-8-yl]ethanone
AlkaPlorer ID: AK128266
Synonym: None
IUPAC Name: 1-[(1R,9R,12S,19S)-12-ethyl-6-hydroxy-8,16-diazapentacyclo[10.6.1.01,9.02,7.016,19]nonadeca-2(7),3,5-trien-8-yl]ethanone
Structure
SMILES: CC[C@]12CCCN3CC[C@]4(C5=CC=CC(O)=C5N(C(C)=O)[C@@H]4CC1)[C@@H]32
InChI: InChI=1S/C21H28N2O2/c1-3-20-9-5-12-22-13-11-21(19(20)22)15-6-4-7-16(25)18(15)23(14(2)24)17(21)8-10-20/h4,6-7,17,19,25H,3,5,8-13H2,1-2H3/t17-,19+,20+,21-/m1/s1
InChIKey: XLNXVRNSNBJROM-BVOGOJNSSA-N
Reference
The alkaloids ofAspidosperma discolor A. DC
PubChem CID: 162933069
LOTUS: LTS0005350
SuperNatural Ⅲ: SN0433481-01
NPASS: NPC52255
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Sonchus erzincanicus | Sonchus | Asteraceae | Asterales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 340.46700000000016
TPSA？: 43.78
MolLogP？: 3.4234000000000018
Number of H-Donors: 1
Number of H-Acceptors: 3
RingCount: 5
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|