N,N'-Bis(3-aminopropyl)-1,4-butanediamine; N1,N5,N10,N14-Tetrakis(4-hydroxy-E-cinnamoyl) 

AlkaPlorer ID: AK290680

Synonym: N1,N5,N10,N14-Tetra-trans-p-coumaroylspermine 

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

Structure

SMILES: O=C(/C=C/C1=CC=C(O)C=C1)N(CCCCN(CCCN=C(O)/C=C/C1=CC=C(O)C=C1)C(=O)/C=C/C1=CC=C(O)C=C1)CCCN=C(O)/C=C/C1=CC=C(O)C=C1

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InChI: InChI=1S/C46H50N4O8/c51-39-17-5-35(6-18-39)13-25-43(55)47-29-3-33-49(45(57)27-15-37-9-21-41(53)22-10-37)31-1-2-32-50(46(58)28-16-38-11-23-42(54)24-12-38)34-4-30-48-44(56)26-14-36-7-19-40(52)20-8-36/h5-28,51-54H,1-4,29-34H2,(H,47,55)(H,48,56)/b25-13+,26-14+,27-15+,28-16+

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InChIKey: KKJYIHSXTUGJLP-BRJCPHQQSA-N

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Reference

PubChem CID: 9810941

CAS: 364048-95-3

SuperNatural Ⅲ: SN0187987-02

Source

Properties Information

Molecule Weight: 786.926

TPSA: 186.72

MolLogP: 7.79300000000001

Number of H-Donors: 6

Number of H-Acceptors: 8

RingCount: 4

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi

Metabolism Information