Molecule

N,N'-Dicinnamoylputrescine; (E,E)-form, 4''',4''''-Dihydroxy

AlkaPlorer ID: AK295536

Synonym: N,N'-1,4-Butanediylbis[3-(4-hydroxyphenyl)-2-propenamide], N,N'-Bis(4-hydroxycinnamoyl)-1,4-butanediamine, N1,N4-Di-p-coumaroylputrescine

IUPAC Name: (E)-3-(4-hydroxyphenyl)-N-[4-[[(E)-3-(4-hydroxyphenyl)prop-2-enoyl]amino]butyl]prop-2-enamide

Structure

SMILES: O=C(/C=C/C1=CC=C(O)C=C1)NCCCCNC(=O)/C=C/C1=CC=C(O)C=C1

InChI: InChI=1S/C22H24N2O4/c25-19-9-3-17(4-10-19)7-13-21(27)23-15-1-2-16-24-22(28)14-8-18-5-11-20(26)12-6-18/h3-14,25-26H,1-2,15-16H2,(H,23,27)(H,24,28)/b13-7+,14-8+

InChIKey: PYVBFDCHJDMSMM-FNCQTZNRSA-N

Reference

PubChem CID: 44241258

CAS: 37946-59-1

SuperNatural Ⅲ: SN0298815-01

Source

Species	Genus	Family	Order	Class	Phylum	Kingdom	Domain
Nicotiana tabacum	Nicotiana	Solanaceae	Solanales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
Dianthus caryophyllus	Dianthus	Caryophyllaceae	Caryophyllales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
Rubus idaeus	Rubus	Rosaceae	Rosales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
Helianthus annuus	Helianthus	Asteraceae	Asterales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
Pyrus communis	Pyrus	Rosaceae	Rosales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota

Properties Information

Molecule Weight: 380.4440000000001

TPSA？: 98.66

MolLogP？: 2.8370000000000006

Number of H-Donors: 4

Number of H-Acceptors: 4

RingCount: 2

Activities Information

Organism	Target Name	Standard Type	Standard Value	Standard Units	doi
Agaricus bisporus	Tyrosinase	IC50	6500.0	nM	10.1016/j.bmc.2018.10.036
Mus musculus	B16-F1	Activity	nan	None	10.1016/j.bmc.2018.10.036
Mus musculus	B16-F1	IC50	150000.0	nM	10.1016/j.bmc.2018.10.036
Mus musculus	Tyrosinase	IC50	150000.0	nM	10.1016/j.bmc.2018.10.036
None	ADMET	Drug uptake	nan	None	10.1016/j.bmc.2018.10.036
None	No relevant target	EC50	5000000.0	nM	10.1016/j.bmc.2018.10.036