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


and

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




INPUT WORD = C00003440 , 50% or more
[ Metabolite Name : Ingenol 3,20-dibenzoate , Ingenol-3,20-dibenzoate , (+)-Ingenol 3,20-dibenzoate ]
Number of matched data : 61

CID Metabolite Name Structural formula Metabolite Activity Similarity (%)
C00044275 Paeonidaninol A 87.50
C00035056 Barbatin B
(-)-Barbatin B		 86.52
C00035055 Barbatin A
(-)-Barbatin A		 85.39
C00046246 Orbiculin A 85.23
C00031269 Salasol B 84.44
C00044106 Benzoylpaeoniflorin 84.44
C00050229 Scupontin G
(-)-Scupontin G		 84.27
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
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		 83.91
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 83.91
C00031915 Isovouacapenol E
(-)-Isovouacapenol E		 83.91
C00013134 (-)-Triptofordin C 2
Triptofordin C 2		 83.70
C00013135 (-)-Triptofordin C 1
Triptofordin C 1		 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
C00048037 Paeonidanin A
(-)-Paeonidanin A		 83.52
C00032107 Paeonin A
(+)-Paeonin A		 83.33
C00015875 Spinuloplagin B 83.15
C00044276 Paeonidaninol B 83.15
C00013183 Deacetylcelapanigine
Celapagine
6-(Acetyloxy)-10-(benzoyloxy)octahydro-4-hydroxy-2,2,5a,9-tetramethyl-2H-3,9a-methano-1-benzoxepin-5-yl ester 3-pyridinecarboxylic acid		 82.76
C00030594 Kansuiphorin C 82.76
C00030595 Kansuiphorin D 82.76
C00038853 Corymbone A
(+)-Corymbone A		 82.76
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
C00044977 Orthosiphol T
(-)-Orthosiphol T		 82.29
C00044981 Orthosiphol X
(-)-Orthosiphol X		 82.29
C00049819 Meliavolkinin
(+)-Meliavolkinin		 82.22
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		 81.82
C00027689 14-O-benzoylperegrine 81.82
C00048039 Paeonidanin C
(-)-Paeonidanin C		 81.72
C00031548 2-O-Deacetylorthosiphol J
(-)-2-O-Deacetylorthosiphol J		 81.61
C00046248 Orbiculin E
(+)-Orbiculin E		 81.61
C00049534 Taxezopidine F
(-)-Taxezopidine F		 81.61
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		 81.52
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		 81.52
C00014740 Chalcocaryanone B 81.32
C00024108 Swietenin F 81.32
C00032099 Orthosiphol K
(-)-Orthosiphol K		 81.25
C00008665 Sanggenon B 81.11
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		 81.11
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 81.11
C00035714 Osmanthuside J 80.90
C00048515 Pulcherrimin C 80.90
C00041147 Taxayuntin A 80.81
C00031328 Scutebarbatine E
(-)-Scutebarbatine E		 80.68
C00041189 Taxuspine E 80.68
C00035123 Karajinone B 80.65
C00013178 (+)-Triptofoldin B
TWHR 2
Triptofoldin B
Triptofordin B
[3R-(3alpha,5beta,5aalpha,6alpha,9beta,9aalpha,10R*)]-Octahydro-2,2,5a,9-tetramethyl-, 5,6-dibenzoate 2H-3,9a-methano-1-benzoxepin-5,6,9,10-tetrol		 80.46
C00013180 Mortonol A
[3S-(3alpha,5beta,5aalpha,6alpha,9beta,9aalpha)]-5,6-bis(Benzoyloxy)octahydro-9-hydroxy-2,2,5a,9-tetramethyl-2H-3,9a-methano-1-benzoxepin-10-one		 80.46
C00013189 (+)-Triptofordin A
Triptofordin A
[3R-(3alpha,5beta,5aalpha,6alpha,9beta,9aalpha)]-6-(Benzoyloxy)octahydro-9-hydroxy-2,2,5a,9-tetramethyl-2H-3,9a-methano-1-benzoxepin-5-yl ester 3-phenyl-2-propenoic acid		 80.46
C00013202 Mortonin D
(3alpha,4beta,6alpha,6abeta,7beta,10alpha,10aalpha)-10-Tetramethyl-6,7-bis(benzoyloxy)octahydro-10-hydroxy-3,4,6a 3H-3,10a-epoxy-1H-2-benzoxocin-1-one		 80.46
C00018000 Isolasalocid A
Isolasalocide A		 80.46
C00028120 Cyclovirobuxeine F
(+)-Cyclovirobuxeine F		 80.46
C00030232 Euphornin 80.46
C00030233 Euphornin B 80.46
C00030236 Euphoscopin B 80.46
C00036003 2-Deacetoxytaxinine J 80.46
C00037889 Taxinine NN-7
(+)-Taxinine NN-7		 80.46
C00039181 Euphornin G 80.46
C00043622 Isotaxine B 80.46
C00044979 Orthosiphol V
(-)-Orthosiphol V		 80.46
C00049380 Ingenol 3-hexadecanoate 80.46
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