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


and

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




INPUT WORD = C00014736 , 50% or more
[ Metabolite Name : 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 ]
Number of matched data : 50

CID Metabolite Name Structural formula Metabolite Activity Similarity (%)
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		 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
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		 95.65
C00014741 Chalcocaryanone C 95.65
C00014742 Chalcocaryanone D 95.65
C00014740 Chalcocaryanone B 93.48
C00014739 Chalcocaryanone A 89.13
C00013136 Pringlein 85.87
C00031269 Salasol B 84.78
C00050042 Cryptophycin 176 84.78
C00010484 Arborside A 83.70
C00050229 Scupontin G
(-)-Scupontin G		 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 82.61
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		 82.61
C00014342 4'-O-Methylcarthamidin 7-(2-p-coumaroylglucoside)
5,6,7-Trihydroxy-4'-methoxyflavanone 7-(2-p-coumaroylglucoside)		 82.61
C00032107 Paeonin A
(+)-Paeonin A		 82.61
C00035055 Barbatin A
(-)-Barbatin A		 82.61
C00046246 Orbiculin A 82.61
C00048777 Miuraenamide C
(-)-Miuraenamide C		 82.61
C00048778 Miuraenamide D
(-)-Miuraenamide D		 82.61
C00042518 Framoside 81.72
C00006607 alpha-Diceroptene 81.52
C00013134 (-)-Triptofordin C 2
Triptofordin C 2		 81.52
C00013135 (-)-Triptofordin C 1
Triptofordin C 1		 81.52
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		 81.52
C00014501 4,2',3',4'-Tetrahydroxychalcone 4'-O-(2''-O-acetyl-6''-O-cinnamoyl)glucoside 81.52
C00035056 Barbatin B
(-)-Barbatin B		 81.52
C00044106 Benzoylpaeoniflorin 81.52
C00048037 Paeonidanin A
(-)-Paeonidanin A		 81.52
C00049343 13-O-Acetyl-brevifoliol
13-alpha-O-Acetylbrevifoliol		 81.52
C00032099 Orthosiphol K
(-)-Orthosiphol K		 81.25
C00039807 Mutangin 81.25
C00033733 Cryptophycin A
(-)-Cryptophycin A		 81.05
C00042596 Hydroxyframoside A 81.05
C00042597 Hydroxyframoside B 81.05
C00043420 Cryptophycin 327
(+)-Cryptophycin 327		 81.05
C00043421 Cryptophycin 38 81.05
C00049233 Mooniine A 80.85
C00048039 Paeonidanin C
(-)-Paeonidanin C		 80.65
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		 80.43
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 80.43
C00014747 6''-Demethoxyneocalycopterone 80.43
C00043787 Oboflavanone B 80.43
C00044275 Paeonidaninol A 80.43
C00044276 Paeonidaninol B 80.43
C00027821 Aglain B
(+)-Aglain B		 80.41
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		 80.21
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
C00044977 Orthosiphol T
(-)-Orthosiphol T		 80.21
C00043419 Cryptophycin 326
(+)-Cryptophycin 326		 80.00
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