Protomethine; 18-Oxo, N9-E-cinnamoyl
AlkaPlorer ID: AK311311
Synonym: Verbascine, Verbaskine
IUPAC Name: 2-phenyl-9-[(E)-3-phenylprop-2-enoyl]-1,5,9,14-tetrazabicyclo[12.3.1]octadecane-4,18-dione
Structure
SMILES: O=C1CC(C2=CC=CC=C2)N2CCCN(CCCCN(C(=O)/C=C/C3=CC=CC=C3)CCCN1)C2=O
InChI: InChI=1S/C29H36N4O3/c34-27-23-26(25-13-5-2-6-14-25)33-22-10-21-32(29(33)36)19-8-7-18-31(20-9-17-30-27)28(35)16-15-24-11-3-1-4-12-24/h1-6,11-16,26H,7-10,17-23H2,(H,30,34)/b16-15+
InChIKey: SJYAYUHCOAQDTC-FOCLMDBBSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| None | Verbascum | Scrophulariaceae | Lamiales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 488.6320000000002
TPSA？: 72.96000000000001
MolLogP？: 4.087600000000004
Number of H-Donors: 1
Number of H-Acceptors: 3
RingCount: 4
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|