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


and

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




INPUT WORD = C00050229 , 50% or more
[ Metabolite Name : Scupontin G , (-)-Scupontin G ]
Number of matched data : 50

CID Metabolite Name Structural formula Metabolite Activity Similarity (%)
C00031328 Scutebarbatine E
(-)-Scutebarbatine E		 91.01
C00035056 Barbatin B
(-)-Barbatin B		 91.01
C00031269 Salasol B 90.00
C00031327 Scutebarbatine D
(-)-Scutebarbatine D		 89.89
C00031326 Scutebarbatine C
(-)-Scutebarbatine C		 88.76
C00035055 Barbatin A
(-)-Barbatin A		 88.76
C00013134 (-)-Triptofordin C 2
Triptofordin C 2		 88.04
C00013135 (-)-Triptofordin C 1
Triptofordin C 1		 88.04
C00046246 Orbiculin A 87.64
C00013136 Pringlein 86.96
C00041119 Scutalpin L 85.57
C00032107 Paeonin A
(+)-Paeonin A		 85.56
C00044106 Benzoylpaeoniflorin 85.56
C00028975 Scutebarbatine A 85.39
C00010484 Arborside A 84.78
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
C00048037 Paeonidanin A
(-)-Paeonidanin A		 84.62
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		 84.44
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 84.44
C00003440 Ingenol 3,20-dibenzoate
Ingenol-3,20-dibenzoate
(+)-Ingenol 3,20-dibenzoate		 84.27
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 83.70
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		 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
C00046393 Scuterulein B
(-)-Scuterulein B		 83.70
C00014741 Chalcocaryanone C 83.52
C00014742 Chalcocaryanone D 83.52
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		 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
C00015121 Phenylpyropene A 83.15
C00029592 7-O-Nicotinoylscutebarbatine H 83.15
C00031915 Isovouacapenol E
(-)-Isovouacapenol E		 83.15
C00044275 Paeonidaninol A 83.15
C00044276 Paeonidaninol B 83.15
C00049526 Taxawallin D 83.15
C00048039 Paeonidanin C
(-)-Paeonidanin C		 82.80
C00032759 Benzoyloxypaeoniflorin
Oxypaeoniflorin 6'-benzoate		 82.61
C00041184 Taxuspinanane B
(+)-Taxuspinanane B		 82.42
C00044978 Orthosiphol U
(-)-Orthosiphol U		 82.42
C00032099 Orthosiphol K
(-)-Orthosiphol K		 82.29
C00044977 Orthosiphol T
(-)-Orthosiphol T		 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
C00046249 Orbiculin F
(+)-Orbiculin F		 82.11
C00024036 Scuterivulactone A 82.02
C00036790 Baccatin III
(-)-Baccatin III		 82.02
C00040892 Baccatin V 82.02
C00041189 Taxuspine E 82.02
C00049343 13-O-Acetyl-brevifoliol
13-alpha-O-Acetylbrevifoliol		 82.02
C00049536 Taxuspinanane D 82.02
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		 81.52
C00014740 Chalcocaryanone B 81.32
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