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


and

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




INPUT WORD = C00014735 , 50% or more
[ Metabolite Name : 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 ]
Number of matched data : 51

CID Metabolite Name Structural formula Metabolite Activity Similarity (%)
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		 96.74
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		 95.65
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		 95.65
C00014740 Chalcocaryanone B 95.65
C00014741 Chalcocaryanone C 94.57
C00014742 Chalcocaryanone D 94.57
C00014739 Chalcocaryanone A 91.30
C00046246 Orbiculin A 85.87
C00010484 Arborside A 84.78
C00031269 Salasol B 84.78
C00035055 Barbatin A
(-)-Barbatin A		 84.78
C00050229 Scupontin G
(-)-Scupontin G		 84.78
C00013134 (-)-Triptofordin C 2
Triptofordin C 2		 83.70
C00013135 (-)-Triptofordin C 1
Triptofordin C 1		 83.70
C00013136 Pringlein 83.70
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
C00044977 Orthosiphol T
(-)-Orthosiphol T		 83.33
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 82.61
C00035056 Barbatin B
(-)-Barbatin B		 82.61
C00043786 Oboflavanone A
(-)-Oboflavanone A		 82.61
C00050042 Cryptophycin 176 82.61
C00050043 Cryptophycin 46 82.61
C00032099 Orthosiphol K
(-)-Orthosiphol K		 82.29
C00039807 Mutangin 82.29
C00003440 Ingenol 3,20-dibenzoate
Ingenol-3,20-dibenzoate
(+)-Ingenol 3,20-dibenzoate		 81.52
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		 81.52
C00017062 RF 1023B
Trapoxin B		 81.52
C00041188 Taxuspine C 81.52
C00043787 Oboflavanone B 81.52
C00048037 Paeonidanin A
(-)-Paeonidanin A		 81.52
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		 81.25
C00048039 Paeonidanin C
(-)-Paeonidanin C		 80.65
C00006379 Orientin 7-O-caffeate 80.43
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		 80.43
C00014285 Calyxin C
2,3-Dihydro-7-hydroxy-8-[(1S,2E,5S)-5-hydroxy-1,7-bis(4-hydroxyphenyl)-2-heptenyl]-2-(4-hydroxyphenyl)-5-methoxy-4H-1-benzopyran-4-one		 80.43
C00014286 Calyxin D
2,3-Dihydro-7-hydroxy-8-[(1R,2E,5S)-5-hydroxy-1,7-bis(4-hydroxyphenyl)-2-heptenyl]-2-(4-hydroxyphenyl)-5-methoxy-4H-1-benzopyran-4-one		 80.43
C00014291 Epicalyxin C 80.43
C00014292 Epicalyxin D 80.43
C00014318 Naringenin 7-(2-p-Coumaroylglucoside)
5,7,4'-Trihydroxyflavanone 7-(2-p-Coumaroylglucoside)		 80.43
C00014571 Deoxycalyxin A 80.43
C00043785 Obochalcolactone
(-)-Obochalcolactone		 80.43
C00048515 Pulcherrimin C 80.43
C00048516 Pulcherrimin E 80.41
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		 80.21
C00043420 Cryptophycin 327
(+)-Cryptophycin 327		 80.00
C00041147 Taxayuntin A 79.80
C00013619 Apigenin 7-(3''-acetyl-6''-E-p-coumaroylglucoside)
7-[[3-O-Acetyl-6-O-[(2E)-3-(4-hydroxyphenyl)-1-oxo-2-propenyl]-b-D-glucopyranosyl]oxy]-5-hydroxy-2-(4-hydroxyphenyl)-4H-1-benzopyran-4-one		 79.79
C00014319 Naringenin 7-[3-acetyl-6-p-coumaroylglucoside]
5,7,4'-Trihydroxyflavanone 7-[3-acetyl-6-p-coumaroylglucoside]		 79.79
C00045038 Reissantin A 79.79
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		 79.59
C00035955 6alpha-Acetoxy-9beta-benzoyloxy-1beta-cinnamoyloxy-8beta-(2-methylbutanoyloxy)-beta-dihydroagarofuran 79.59
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