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


and

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




INPUT WORD = C00031915 , 50% or more
[ Metabolite Name : Isovouacapenol E , (-)-Isovouacapenol E ]
Number of matched data : 63

CID Metabolite Name Structural formula Metabolite Activity Similarity (%)
C00048515 Pulcherrimin C 89.89
C00035055 Barbatin A
(-)-Barbatin A		 85.39
C00031328 Scutebarbatine E
(-)-Scutebarbatine E		 85.23
C00046246 Orbiculin A 85.23
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 84.71
C00048516 Pulcherrimin E 84.54
C00035056 Barbatin B
(-)-Barbatin B		 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
C00003440 Ingenol 3,20-dibenzoate
Ingenol-3,20-dibenzoate
(+)-Ingenol 3,20-dibenzoate		 83.91
C00050229 Scupontin G
(-)-Scupontin G		 83.15
C00031326 Scutebarbatine C
(-)-Scutebarbatine C		 82.95
C00014741 Chalcocaryanone C 82.42
C00014742 Chalcocaryanone D 82.42
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		 82.35
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		 82.35
C00031269 Salasol B 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
C00031327 Scutebarbatine D
(-)-Scutebarbatine D		 81.82
C00013136 Pringlein 81.52
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 81.52
C00028975 Scutebarbatine A 81.40
C00046248 Orbiculin E
(+)-Orbiculin E		 81.40
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		 81.18
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
C00032107 Paeonin A
(+)-Paeonin A		 81.11
C00044106 Benzoylpaeoniflorin 81.11
C00029592 7-O-Nicotinoylscutebarbatine H 80.90
C00044275 Paeonidaninol A 80.68
C00013134 (-)-Triptofordin C 2
Triptofordin C 2		 80.43
C00013135 (-)-Triptofordin C 1
Triptofordin C 1		 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
C00032759 Benzoyloxypaeoniflorin
Oxypaeoniflorin 6'-benzoate
beta-Benzoyloxypaeoniflorin		 80.43
C00049815 Maculalactone J 80.23
C00044977 Orthosiphol T
(-)-Orthosiphol T		 80.21
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		 80.00
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		 80.00
C00014643 Iryantherin G
rel-1-[3-[(1R,2R,3S)-1,4-Bis(4-hydroxyphenyl)-2,3-dimethylbutyl]-2,4,6-trihydroxyphenyl]-3-(4-methoxyphenyl)-1-propanone		 80.00
C00014644 Iryantherin H
rel-1-[3-[(1R,2S,3R)-1,4-Bis(4-hydroxyphenyl)-2,3-dimethylbutyl]-2,4,6-trihydroxyphenyl]-3-(4-methoxyphenyl)-1-propanone		 80.00
C00031548 2-O-Deacetylorthosiphol J
(-)-2-O-Deacetylorthosiphol J		 80.00
C00048519 Pulcherrin C
(+)-Pulcherrin C		 80.00
C00049819 Meliavolkinin
(+)-Meliavolkinin		 80.00
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		 79.35
C00043786 Oboflavanone A
(-)-Oboflavanone A		 79.31
C00032099 Orthosiphol K
(-)-Orthosiphol K		 79.17
C00044981 Orthosiphol X
(-)-Orthosiphol X		 79.17
C00001968 Celapanine 79.07
C00014574 Calyxin L
Epicalyxin F		 78.89
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		 78.82
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		 78.82
C00013201 Mortonin C
(5alpha,5abeta,6beta,9alpha,9abeta)-5,6-bis(Benzoyloxy)-5,5a,6,7,8,9-hexahydro-9-hydroxy-2,2,5a,9-tetramethyl-1-benzoxepin-9a(2H)-carboxylic acid		 78.82
C00015122 Phenylpyropene B 78.82
C00015476 Arisugacin D 78.82
C00016204 Pyripyropene N 78.82
C00024020 Paxillarine A 78.82
C00024317 Norrauvomitine 78.82
C00024859 Cossonine
(+)-Cossonine		 78.82
C00024883 Episcopalidine 78.82
C00028649 N-Benzoyl-O-acetylbuxalongifoline 78.82
C00037889 Taxinine NN-7
(+)-Taxinine NN-7		 78.82
C00038570 Bacillisporin E
(-)-Bacillisporin E		 78.82
C00038816 Cochinchinenin B
(+)-Cochinchinenin B		 78.82
C00048488 Neocaesalpin P
(+)-Neocaesalpin P		 78.82
C00049816 Maculalactone K
(+)-Maculalactone K		 78.82
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