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


and

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




INPUT WORD = C00035055 , 50% or more
[ Metabolite Name : Barbatin A , (-)-Barbatin A ]
Number of matched data : 50

CID Metabolite Name Structural formula Metabolite Activity Similarity (%)
C00035056 Barbatin B
(-)-Barbatin B		 96.63
C00029592 7-O-Nicotinoylscutebarbatine H 91.01
C00050229 Scupontin G
(-)-Scupontin G		 88.76
C00013134 (-)-Triptofordin C 2
Triptofordin C 2		 88.04
C00013135 (-)-Triptofordin C 1
Triptofordin C 1		 88.04
C00031269 Salasol B 87.78
C00031326 Scutebarbatine C
(-)-Scutebarbatine C		 87.64
C00046246 Orbiculin A 87.64
C00029582 6-O-Nicotinoyl-7-O-acetylscutebarbatine G 87.37
C00024040 Scuterivulactone C2 3-O-acetate 86.52
C00031328 Scutebarbatine E
(-)-Scutebarbatine E		 86.52
C00048515 Pulcherrimin C 86.52
C00013136 Pringlein 85.87
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 85.87
C00046393 Scuterulein B
(-)-Scuterulein B		 85.87
C00013169 [3R-(3alpha,4beta,5alpha,5aalpha,6alpha,9beta,9aalpha,10R*)]-4,5-bis(Acetyloxy)-6-(benzoyloxy)octahydro-9-hydroxy-2,2,5a,9-tetramethyl-2H-3,9a-methano-1-benzoxepin-10-yl ester 3-pyridinecarboxylic acid 85.56
C00003440 Ingenol 3,20-dibenzoate
Ingenol-3,20-dibenzoate
(+)-Ingenol 3,20-dibenzoate		 85.39
C00028975 Scutebarbatine A 85.39
C00031327 Scutebarbatine D
(-)-Scutebarbatine D		 85.39
C00031915 Isovouacapenol E
(-)-Isovouacapenol E		 85.39
C00014735 Bicaryanone A
(2S,4bR,7aS,7bR,8R,11S,13aR,13bR,14R,15S)-2,3,4b,7a,7b,8,13b,14,15,18-Decahydro-2,11-diphenyl-11H-8,13a[2',3']-furanofuro[3',2':3,4]naphtho[1,2-b:7,8-b']dipyran-4,6,13,17(5H,12H)-tetrone		 84.78
C00044977 Orthosiphol T
(-)-Orthosiphol T		 84.38
C00013162 Mortonol B
[3S-(3alpha,5beta,5aalpha,6alpha,7beta,9beta,9aalpha)]-7-(Acetyloxy)-5,6-bis(benzoyloxy)octahydro-9-hydroxy-2,2,5a,9-tetramethyl-2H-3,9a-methano-1-benzoxepin-10-one		 84.27
C00024037 Scuterivulactone B 84.27
C00031329 Scutebarbatine F
(-)-Scutebarbatine F		 84.27
C00010484 Arborside A 83.70
C00014737 Bicaryanone C
(2S,4bR,7aS,7bR,8R,11R,13aR,13bR,14R,15S)-2,3,4b,7a,7b,8,13b,14,15,18-decahydro-2,11-Diphenyl-11H-8,13a[2',3']-furanofuro[3',2':3,4]naphtho[1,2-b:7,8-b']dipyran-4,6,13,17(5H,12H)-tetrone		 83.70
C00014740 Chalcocaryanone B 83.52
C00014741 Chalcocaryanone C 83.52
C00014742 Chalcocaryanone D 83.52
C00048037 Paeonidanin A
(-)-Paeonidanin A		 83.52
C00032099 Orthosiphol K
(-)-Orthosiphol K		 83.33
C00032107 Paeonin A
(+)-Paeonin A		 83.33
C00039807 Mutangin 83.33
C00013168 [3R-(3alpha,4beta,5alpha,5aalpha,6alpha,9beta,9aalpha,10R*)]-5-(Acetyloxy)-6-(benzoyloxy)octahydro-4,9-dihydroxy-2,2,5a,9-tetramethyl-2H-3,9a-methano-1-benzoxepin-10-yl ester 3-pyridinecarboxylic acid 83.15
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		 83.15
C00024038 Scuterivulactone C1 83.15
C00024039 Scuterivulactone C2 83.15
C00044275 Paeonidaninol A 83.15
C00044276 Paeonidaninol B 83.15
C00044985 Osmanthuside B
(-)-Osmanthuside B		 83.15
C00014736 Bicaryanone B
(2R,4bR,7aS,7bR,8R,11S,13aR,13bR,14R,15S)-2,3,4b,7a,7b,8,13b,14,15,18-Decahydro-2,11-diphenyl-11H-8,13a[2',3']-furanofuro[3',2':3,4]naphtho[1,2-b:7,8-b']dipyran-4,6,13,17(5H,12H)-tetrone		 82.61
C00014738 Bicaryanone D
(2R,4bR,7aS,7bR,8R,11R,13aR,13bR,14R,15S)-2,3,4b,7a,7b,8,13b,14,15,18-Decahydro-2,11-diphenyl-11H-8,13a[2',3']-furanofuro[3',2':3,4]naphtho[1,2-b:7,8-b']dipyran-4,6,13,17(5H,12H)-tetrone		 82.61
C00044981 Orthosiphol X
(-)-Orthosiphol X		 82.29
C00013167 Cathedulin 8
Cathedulin E 8
Catheduline E 8
(3alpha,4alpha,5beta,5aalpha,6alpha,7alpha,9alpha,9aalpha)-[6,7-bis(Acetyloxy)-5-(benzoyloxy)octahydro-4-hydroxy-2,2,9-trimethyl-5aH-3,9a-methano-1-benzoxepin-5a-yl]methyl ester 3-pyridinecarboxylic acid		 82.22
C00044106 Benzoylpaeoniflorin 82.22
C00049819 Meliavolkinin
(+)-Meliavolkinin		 82.22
C00031335 Scutebarbatine L
(-)-Scutebarbatine L		 82.02
C00043786 Oboflavanone A
(-)-Oboflavanone A		 82.02
C00047024 Casearborin E
(+)-Casearborin E		 82.02
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