Spermidine; N,N''-Bis[3-(3,4-dihydroxyphenyl)propanoyl]
AlkaPlorer ID: AK055868
Synonym: N1,N10-Bis(dihydrocaffeoyl)spermidine
IUPAC Name: 3-(3,4-dihydroxyphenyl)-N-[4-[3-[3-(3,4-dihydroxyphenyl)propanoylamino]propylamino]butyl]propanamide
Structure
SMILES: OC(CCC1=CC=C(O)C(O)=C1)=NCCCCNCCCN=C(O)CCC1=CC=C(O)C(O)=C1
InChI: InChI=1S/C25H35N3O6/c29-20-8-4-18(16-22(20)31)6-10-24(33)27-14-2-1-12-26-13-3-15-28-25(34)11-7-19-5-9-21(30)23(32)17-19/h4-5,8-9,16-17,26,29-32H,1-3,6-7,10-15H2,(H,27,33)(H,28,34)
InChIKey: RNEHQZRKZJSYOL-UHFFFAOYSA-N
Reference
Hydroxycinnamic acid amides from Iochroma cyaneum
PubChem CID: 15730308
LOTUS: LTS0109337
SuperNatural Ⅲ: SN0329974
COCONUT: CNP0136860
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| None | Scopolia | Solanaceae | Solanales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
| Solanum quitoense | Solanum | Solanaceae | Solanales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
| Iochroma cyaneum | Iochroma | Solanaceae | Solanales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 473.5700000000003
TPSA？: 158.13
MolLogP？: 3.7473000000000014
Number of H-Donors: 7
Number of H-Acceptors: 7
RingCount: 2
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Trypanosoma cruzi | Trypanothione reductase | Inhibition constant | 2.01 | None | 10.1021/jm9603781 |