Vitepyrroloid A; N-(3-Ethoxycarbonylpropyl)
AlkaPlorer ID: AK317793
Synonym: Vitepyrroloid B
IUPAC Name: None
Structure
SMILES: CCOC(=O)CCCN1C=CC(CCC2(O)C(C)CCC3C(C)(C)CCCC32C)=C1C#N
InChI: InChI=1S/C27H42N2O3/c1-6-32-24(30)9-7-17-29-18-13-21(22(29)19-28)12-16-27(31)20(2)10-11-23-25(3,4)14-8-15-26(23,27)5/h13,18,20,23,31H,6-12,14-17H2,1-5H3
InChIKey: WCDSYPWJEBDYTA-UHFFFAOYSA-N
Reference
CAS: 2097488-17-8
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Vitex trifolia | Vitex | Lamiaceae | Lamiales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 442.6440000000004
TPSA？: 75.25
MolLogP？: 5.629280000000007
Number of H-Donors: 1
Number of H-Acceptors: 5
RingCount: 3
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|