N-[(10Z)-7-[(1H-indol-2-yl)methyl]-5,8-dioxo-3-(propan-2-yl)-2-oxa-6,9-diazabicyclo[10.2.2]hexadeca-1(14),10,12,15-tetraen-4-yl]-2-(methylamino)hexanamide
AlkaPlorer ID: AK261229
Synonym: None
IUPAC Name: N-[7-(1H-indol-2-ylmethyl)-5,8-dioxo-3-propan-2-yl-2-oxa-6,9-diazabicyclo[10.2.2]hexadeca-1(14),10,12,15-tetraen-4-yl]-2-(methylamino)hexanamide
Structure
SMILES: CCCCC(NC)C(O)=NC1C(O)=NC(CC2=CC3=CC=CC=C3N2)C(O)=NC=CC2=CC=C(C=C2)OC1C(C)C
InChI: InChI=1S/C32H41N5O4/c1-5-6-10-26(33-4)31(39)37-28-29(20(2)3)41-24-14-12-21(13-15-24)16-17-34-30(38)27(36-32(28)40)19-23-18-22-9-7-8-11-25(22)35-23/h7-9,11-18,20,26-29,33,35H,5-6,10,19H2,1-4H3,(H,34,38)(H,36,40)(H,37,39)
InChIKey: RQKHBSFTWMNHGF-UHFFFAOYSA-N
Reference
Ceanothus alkaloids. Americine
PubChem CID: 162979914
LOTUS: LTS0095869
COCONUT: CNP0251962
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Ceanothus americanus | Ceanothus | Rhamnaceae | Rosales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 559.7110000000001
TPSA？: 134.82
MolLogP？: 6.183200000000005
Number of H-Donors: 5
Number of H-Acceptors: 5
RingCount: 5
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|