(1'R,3S,4'S,7'R,8'R,9'S)-7'-ethyl-7'-hydroxy-1-methoxy-11'-oxa-5'-azaspiro[indole-3,2'-tricyclo[6.3.1.0⁴,⁹]dodecane]-2-one
AlkaPlorer ID: AK031822
Synonym: None
IUPAC Name: (2S,7S)-7-ethyl-7-hydroxy-1'-methoxyspiro[11-oxa-5-azatricyclo[6.3.1.04,9]dodecane-2,3'-indole]-2'-one
Structure
SMILES: CC[C@@]1(O)CNC2C[C@@]3(C(=O)N(OC)C4=CC=CC=C43)C3CC1C2CO3
InChI: InChI=1S/C20H26N2O4/c1-3-19(24)11-21-15-9-20(17-8-14(19)12(15)10-26-17)13-6-4-5-7-16(13)22(25-2)18(20)23/h4-7,12,14-15,17,21,24H,3,8-11H2,1-2H3/t12?,14?,15?,17?,19-,20+/m1/s1
InChIKey: NMAOILPRGBGTEA-COBUNYNLSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Actinidia polygama | Actinidia | Actinidiaceae | Ericales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
| Gelsemium elegans | Gelsemium | Gelsemiaceae | Gentianales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 358.43800000000016
TPSA？: 71.03
MolLogP？: 1.3703
Number of H-Donors: 2
Number of H-Acceptors: 5
RingCount: 6
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|