Protoverbine; (S)-form, N9-E-Cinnamoyl, N14-Ac
AlkaPlorer ID: AK311345
Synonym: Verbascenine
IUPAC Name: 13-acetyl-8-phenyl-1-[(E)-3-phenylprop-2-enoyl]-1,5,9,13-tetrazacycloheptadecan-6-one
Structure
SMILES: CC(=O)N1CCCCN(C(=O)/C=C/C2=CC=CC=C2)CCCNC(=O)CC(C2=CC=CC=C2)NCCC1
InChI: InChI=1S/C30H40N4O3/c1-25(35)33-20-8-9-21-34(30(37)17-16-26-12-4-2-5-13-26)23-11-19-32-29(36)24-28(31-18-10-22-33)27-14-6-3-7-15-27/h2-7,12-17,28,31H,8-11,18-24H2,1H3,(H,32,36)/b17-16+
InChIKey: QWIQBGWKCLURMP-WUKNDPDISA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Verbascum nigrum | Verbascum | Scrophulariaceae | Lamiales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
| None | Verbascum | Scrophulariaceae | Lamiales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 504.6750000000004
TPSA？: 81.75
MolLogP？: 3.788100000000002
Number of H-Donors: 2
Number of H-Acceptors: 4
RingCount: 3
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|