Chem
J-GLOBAL ID:200907058412226664
Nikkaji number:J682.359I
Tri-caffeoylspermidine
トリ-カフェオイルスペルミジン
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Substance type:
Substance type
Substance type classified into 3 categories. Decided structure: Substances with a clear structure Undicided Structure: Substances with unknown or undetermined structure Mixtures: Mixtures, racemic compounds, or compounds with relative structural arrangements
Decided structure
Molecular formula:
C34 H37 N3 O9
Molecular formula furigana:
C34-H37-N3-O9
Molecular weight:
631.682
InChI:
InChI=1S/C34H37N3O9/c38-26-10-4-23(20-29(26)41)7-13-32(44)35-16-1-2-18-37(34(46)15-9-25-6-12-28(40)31(43)22-25)19-3-17-36-33(45)14-8-24-5-11-27(39)30(42)21-24/h4-15,20-22,38-43H,1-3,16-19H2,(H,35,44)(H,36,45)/b13-7+,14-8+,15-9+
InChI key:
ZKNHGZHOGBDPIA-ZOWBABNGSA-N
SMILES:
Oc1ccc(/C=C/C(=O)NCCCCN(CCCNC(=O)/C=C/c2ccc(O)c(O)c2)C(=O)/C=C/c2ccc(O)c(O)c2)cc1O
Systematic name (4):
N-[3-[(3,4-ジヒドロキシ-trans-シンナモイル)アミノ]プロピル]-N-[4-[(3,4-ジヒドロキシ-trans-シンナモイル)アミノ]ブチル]-3,4-ジヒドロキシ-trans-シンナムアミド
[3-(3,4-ジヒドロキシ-trans-シンナモイルアミノ)プロピル][4-(3,4-ジヒドロキシ-trans-シンナモイルアミノ)ブチル](3,4-ジヒドロキシ-trans-シンナモイル)アミン
(2E)-3-(3,4-ジヒドロキシフェニル)-N-{3-[(2E)-3-(3,4-ジヒドロキシフェニル)-N-{4-[(2E)-3-(3,4-ジヒドロキシフェニル)プロパ-2-エンアミド]ブチル}プロパ-2-エンアミド]プロピル}プロパ-2-エンアミド
(2E)-3-(3,4-dihydroxyphenyl)-N-{3-[(2E)-3-(3,4-dihydroxyphenyl)-N-{4-[(2E)-3-(3,4-dihydroxyphenyl)prop-2-enamido]butyl}prop-2-enamido]propyl}prop-2-enamide
Other name (7):
N1 ,N5 ,N10 -トリカフェオイルスペルミジン
N1 ,N5 ,N10 -Tricaffeoylspermidine
N-[3-[(3,4-Dihydroxy-trans-cinnamoyl)amino]propyl]-N-[4-[(3,4-dihydroxy-trans-cinnamoyl)amino]butyl]-3,4-dihydroxy-trans-cinnamamide
[3-(3,4-Dihydroxy-trans-cinnamoylamino)propyl][4-(3,4-dihydroxy-trans-cinnamoylamino)butyl](3,4-dihydroxy-trans-cinnamoyl)amine
トリ-カフェオイルスペルミジン
Tri-caffeoylspermidine
N1 ,N5 ,N10 -Tricaffeoyl spermidine
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