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


and

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




INPUT WORD = C00031326 , 50% or more
[ Metabolite Name : Scutebarbatine C , (-)-Scutebarbatine C ]
Number of matched data : 60

CID Metabolite Name Structural formula Metabolite Activity Similarity (%)
C00031328 Scutebarbatine E
(-)-Scutebarbatine E		 94.32
C00031327 Scutebarbatine D
(-)-Scutebarbatine D		 93.18
C00028975 Scutebarbatine A 92.05
C00029592 7-O-Nicotinoylscutebarbatine H 88.76
C00035056 Barbatin B
(-)-Barbatin B		 88.76
C00050229 Scupontin G
(-)-Scupontin G		 88.76
C00031335 Scutebarbatine L
(-)-Scutebarbatine L		 87.64
C00035055 Barbatin A
(-)-Barbatin A		 87.64
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		 85.56
C00041119 Scutalpin L 84.54
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
C00013160 Rzedowskin D
[3R-[3alpha,5beta,5aalpha,6alpha(E),7beta,9beta,9aalpha,10R*]]-5-(Acetyloxy)octahydro-7,9-dihydroxy-2,2,5a,9-tetramethyl-6-[(1-oxo-3-phenyl-2-propenyl)oxy]-2H-3,9a-methano-1-benzoxepin-10-yl ester 3-pyridinecarboxylic acid		 84.09
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 84.09
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		 84.09
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		 83.33
C00031269 Salasol B 83.33
C00048515 Pulcherrimin C 83.15
C00031334 Scutebarbatine K
(-)-Scutebarbatine K		 82.95
C00031915 Isovouacapenol E
(-)-Isovouacapenol E		 82.95
C00046246 Orbiculin A 82.95
C00013134 (-)-Triptofordin C 2
Triptofordin C 2		 82.61
C00013135 (-)-Triptofordin C 1
Triptofordin C 1		 82.61
C00016203 Pyripyropene M 81.82
C00024036 Scuterivulactone A 81.82
C00013133 Cathidine D 81.52
C00013136 Pringlein 81.52
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		 81.25
C00029582 6-O-Nicotinoyl-7-O-acetylscutebarbatine G 81.05
C00001712 Deserpidine 80.90
C00049343 13-O-Acetyl-brevifoliol
13-alpha-O-Acetylbrevifoliol		 80.90
C00049526 Taxawallin D 80.90
C00001968 Celapanine 80.68
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		 80.68
C00013175 Ejap 3
2[3R-(3alpha,4alpha,5beta,5aalpha,6alpha,9alpha,9aalpha,10R*)]- 5a-[(Acetyloxy)methyl]octahydro-2,2,9-trimethyl-H-3,9a-methano-1-benzoxepin-4,5,6,10-tetrol 4,6,10-triacetate 5-benzoate		 80.68
C00024453 (-)-Echitoveniline 80.68
C00024496 19-Epi-(+)-echitoveniline
(+)-19-Epiechitoveniline		 80.68
C00024859 Cossonine
(+)-Cossonine		 80.68
C00031329 Scutebarbatine F
(-)-Scutebarbatine F		 80.68
C00041118 Scutalpin J 80.68
C00041120 Scutalpin N
(-)-Scutalpin N		 80.68
C00046248 Orbiculin E
(+)-Orbiculin E		 80.68
C00010484 Arborside A 80.43
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 80.43
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		 80.43
C00046393 Scuterulein B
(-)-Scuterulein B		 80.43
C00048037 Paeonidanin A
(-)-Paeonidanin A		 80.22
C00016859 FO 1289C
Pyripyropene C		 80.00
C00033914 Heteroclitin I
(-)-Heteroclitin I
Kadsuphilol		 80.00
C00001633 Delphinine 79.55
C00014645 Iryantherin I
rel-3-(1,3-Benzodioxol-5-yl)-1-[3-[(1R,2R,3S)-1,4-bis(4-hydroxyphenyl)-2,3-dimethylbutyl]-2,4,6-trihydroxyphenyl]-1-propanone		 79.55
C00014646 Iryantherin J
rel-3-(1,3-Benzodioxol-5-yl)-1-[3-[(1R,2S,3R)-1,4-bis(4-hydroxyphenyl)-2,3-dimethylbutyl]-2,4,6-trihydroxyphenyl]-1-propanone		 79.55
C00024040 Scuterivulactone C2 3-O-acetate 79.55
C00024797 1,15-di-O-acetylhypognavine
Hypognavine 1,15-diacetate
Hypognavine diacetate		 79.55
C00031503 14-O-Anisoylneoline 79.55
C00039793 Morinol A 79.55
C00040903 Brevifoliol 79.55
C00043622 Isotaxine B 79.55
C00044275 Paeonidaninol A 79.55
C00046392 Scuterulein A
(-)-Scuterulein A		 79.55
C00047687 6-O-Acetylscutehenanine A
(-)-6-O-Acetylscutehenanine A		 79.55
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