N,N'-Dicinnamoylputrescine; (E,E)-form, 3''',3'''',4''',4''''-Tetrahydroxy
AlkaPlorer ID: AK295539
Synonym: N,N'-Bis(3,4-dihydroxycinnamoyl)-1,4-butanediamine, N1,N4-Di-trans-caffeoylputrescine
IUPAC Name: (E)-3-(3,4-dihydroxyphenyl)-N-[4-[[(E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]amino]butyl]prop-2-enamide
Structure
SMILES: O=C(/C=C/C1=CC=C(O)C(O)=C1)NCCCCNC(=O)/C=C/C1=CC=C(O)C(O)=C1
InChI: InChI=1S/C22H24N2O6/c25-17-7-3-15(13-19(17)27)5-9-21(29)23-11-1-2-12-24-22(30)10-6-16-4-8-18(26)20(28)14-16/h3-10,13-14,25-28H,1-2,11-12H2,(H,23,29)(H,24,30)/b9-5+,10-6+
InChIKey: WKIWXOKCKNMLIX-NXZHAISVSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Nicotiana tabacum | Nicotiana | Solanaceae | Solanales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
| Helianthus annuus | Helianthus | Asteraceae | Asterales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
| None | Salix | Salicaceae | Malpighiales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
| Pyrus communis | Pyrus | Rosaceae | Rosales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 412.4420000000001
TPSA？: 139.12
MolLogP？: 2.2482000000000006
Number of H-Donors: 6
Number of H-Acceptors: 6
RingCount: 2
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Homo sapiens | Dynamin-1 | IC50 | None | None | 10.1021/jm040208l |