"Twins" retrives similar metabolites in chemical structure.
last update : 2020.01.06
KNApSAcK CID : ex.) C00000001


and

Similarity (%) : ex.) 98
% or more




INPUT WORD = C00048516 , 50% or more
[ Metabolite Name : Pulcherrimin E ]
Number of matched data : 52

CID Metabolite Name Structural formula Metabolite Activity Similarity (%)
C00048515 Pulcherrimin C 88.66
C00041147 Taxayuntin A 86.87
C00041119 Scutalpin L 86.60
C00044981 Orthosiphol X
(-)-Orthosiphol X		 86.60
C00030237 Euphoscopin C 85.57
C00032099 Orthosiphol K
(-)-Orthosiphol K		 85.57
C00044977 Orthosiphol T
(-)-Orthosiphol T		 85.57
C00033278 Orthosiphonone A
(-)-Orthosiphonone A		 85.29
C00044975 Orthosiphol O
(-)-Orthosiphol O		 85.29
C00014749 Calyflorenone C
(2S,4R,6S,6aR,8R,10S,13bR)-2,3,4,6,6a,9,10,13b-Octahydro-4,8-dihydroxy-6,6a,12,13,13b-pentamethoxy-2,10-diphenyl-5H,8H-furo[2,3-f:5,4-h']bis[1]benzopyran-5-one		 84.69
C00013134 (-)-Triptofordin C 2
Triptofordin C 2		 84.54
C00013135 (-)-Triptofordin C 1
Triptofordin C 1		 84.54
C00013154 [3S-(3alpha,4beta,5alpha,5aalpha,6alpha,9beta,9aalpha,10S*)]-5a-[(Acetyloxy)methyl]octahydro-2,2,9-trimethyl-2H-3,9a-methano-1-benzoxepin-4,5,6,9,10-pentol, 5-acetate 4,6-dibenzoate 84.54
C00031915 Isovouacapenol E
(-)-Isovouacapenol E		 84.54
C00046249 Orbiculin F
(+)-Orbiculin F		 84.54
C00033272 Orthosiphol A 84.31
C00033279 Orthosiphonone B 84.31
C00003430 Gnidicin 83.84
C00013137 Acetylpringleine
[3R-(3alpha,5beta,5aalpha,6alpha,7alpha,9beta,9aalpha,10R*)]-5a-[(Acetyloxy)methyl]octahydro-2,2,9-trimethyl-, 6,10-diacetate 5,7-dibenzoate 2H-3,9a-methano-1-benzoxepin-5,6,7,9,10-pentol		 83.67
C00014751 6-epi-Calyflorenone C
(2S,4R,6R,6aR,8R,10S,13bR)-2,3,4,6,6a,9,10,13b-Octahydro-4,8-dihydroxy-6,6a,12,13,13b-pentamethoxy-2,10-diphenyl-, 5H,8H-furo[2,3-f:5,4-h']bis[1]benzopyran-5-one		 83.67
C00035955 6alpha-Acetoxy-9beta-benzoyloxy-1beta-cinnamoyloxy-8beta-(2-methylbutanoyloxy)-beta-dihydroagarofuran 83.67
C00013136 Pringlein 83.51
C00031269 Salasol B 83.51
C00032101 Orthosiphol N
(-)-Orthosiphol N		 83.51
C00038009 Voamatin D 83.51
C00039807 Mutangin 83.51
C00033274 Orthosiphol F
(-)-Orthosiphol F		 83.33
C00033387 Staminolactone A
(-)-Staminolactone A		 82.86
C00033388 Staminolactone B
(-)-Staminolactone B		 82.86
C00032067 Neoorthosiphol B
(+)-Neoorthosiphol B		 82.69
C00032079 Norstaminol A
(-)-Norstaminol A		 82.69
C00046252 Orthosiphol L
(-)-Orthosiphol L		 82.69
C00047198 Buxmicrophylline E
(+)-Buxmicrophylline E		 82.65
C00013164 Acetylmaymyrsine
Maymyrsine acetate
[3R-(3alpha,5beta,5aalpha,6alpha,7alpha,9alpha,9aalpha,10R*)]-6,10-bis(Acetyloxy)-5a-[(acetyloxy)methyl]-7-(benzoyloxy)octahydro-2,2,9-trimethyl-2H-3,9a-methano-1-benzoxepin-5-yl ester 3-pyridinecarboxylic acid		 82.47
C00033914 Heteroclitin I
(-)-Heteroclitin I
Kadsuphilol		 82.47
C00035056 Barbatin B
(-)-Barbatin B		 82.47
C00039258 Genkwadaphnin
(+)-Genkwadaphnin		 82.47
C00047167 Alstiphyllanine C
(-)-Alstiphyllanine C		 82.47
C00033273 Orthosiphol B 82.35
C00032159 Siphonol B
(-)-Siphonol B		 81.73
C00032160 Siphonol C
(-)-Siphonol C		 81.73
C00041158 Taxchinin H 81.73
C00044976 Orthosiphol R
(-)-Orthosiphol R		 81.73
C00003454 Mezerein 81.55
C00013156 Triptofordin D 1
[3R-(3alpha,5alpha,5aalpha,6alpha,9beta,9aalpha,10R*)]-10-(Acetyloxy)-5a-[(acetyloxy)methyl]-5-(benzoyloxy)octahydro-9-hydroxy-2,2,9-trimethyl-4-oxo-2H-3,9a-methano-1-benzoxepin-6-yl ester 3-phenyl-2-propenoic acid		 81.44
C00013163 Maymyrsine
[3R-(3alpha,5beta,5aalpha,6alpha,7alpha,9alpha,9aalpha,10R*)]-6,10-bis(Acetyloxy)-7-(benzoyloxy)octahydro-5a-(hydroxymethyl)-2,2,9-trimethyl-2H-3,9a-methano-1-benzoxepin-5-yl ester 3-pyridinecarboxylic acid		 81.44
C00013182 Celapanigine
Celapagine 4-acetate
4,6-bis(Acetyloxy)-10-(benzoyloxy)octahydro-2,2,5a,9-tetramethyl-2H-3,9a-methano-1-benzoxepin-5-yl ester 3-pyridinecarboxylic acid		 81.44
C00024850 Cardiopinine
(-)-Cardiopinine		 81.44
C00028289 Gagaminin
Gagaminine		 81.44
C00035055 Barbatin A
(-)-Barbatin A		 81.44
C00043437 Cyclotaxinine NN-2
(+)-Cyclotaxinine NN-2		 81.44
C00045038 Reissantin A 81.44
Page Top