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


and

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




INPUT WORD = C00045594 , 50% or more
[ Metabolite Name : 8-Hydroxy-9-isobutyryloxy-10(2)-methylbutyrylthymol ]
Number of matched data : 70

CID Metabolite Name Structural formula Metabolite Activity Similarity (%)
C00033552 2-Hydroxy-2-(2-hydroxy-4-methylphenyl)propane-1,3-diyl (2Z,2'Z)- bis(2-methylbut-2-enoate)
Hofmeisterin IV		 92.31
C00045150 1',2'-Epoxy-3',4'-di-isobutyryl-Z-coniferyl alcohol 90.00
C00010835 (E)-2-Methyl-[2-[5-methoxy-4-methyl-2-(2-methyl-1-oxopropoxy)phenyl]oxiranyl]methyl ester 88.68
C00010836 (E)-2-Methyl-4-methoxy-5-methyl-2-[2-[(2-methyl-1-oxopropoxy)methyl]oxiranyl]phenyl ester 88.68
C00010833 2-Methyl-4-methoxy-5-methyl-2-[2-[(2-methyl-1-oxopropoxy)methyl]oxiranyl]phenyl ester 88.24
C00010837 2-Methyl-2-[2-[(acetyloxy)methyl]oxiranyl]-4-methoxy-5-methylphenyl ester 88.00
C00035577 Diacetoxy-[4]-gingerdiol
Diacetoxy-4-gingerdiol		 88.00
C00045164 1'-Isovaleroyloxy-4-O-isobutyryleugenol
(-)-1'-Isovaleroyloxy-4-O-isobutyryleugenol		 88.00
C00010704 Syringopicrogenin A 86.00
C00018634 Chloromonilicin 86.00
C00043107 Vittarilide A
(+)-Vittarilide A		 86.00
C00023269 2-Senecioyl-4-[1-(4'-acetoxyangeloyloxyethyl)]-phenol 84.62
C00042141 4''-Hydroxytigloyldecursinol
(+)-4''-Hydroxytigloyldecursinol		 84.62
C00046714 Debromohamigeran A 84.62
C00011850 9-Hydroxyglabratolide 84.31
C00047536 Pestalotiopsone D
(+)-Pestalotiopsone D		 84.31
C00012214 Glabratolide 84.00
C00020798 Subexpinnatin 84.00
C00030421 Goniothalesacetate 84.00
C00033531 15-epi-(4E)-jatrogrossidentadione 84.00
C00038914 Cytosporone G 84.00
C00038915 Cytosporone H
(-)-Cytosporone H		 84.00
C00042178 8,10-Epoxy-9-acetoxythymol angelate 84.00
C00046715 Debromohamigeran E
(-)-Debromohamigeran E		 84.00
C00049487 Morinin E 84.00
C00010834 (E,E)-2-Methyl-4-methoxy-5-methyl-2-[2-[[(2-methyl-1-oxo-2-butenyl)oxy]methyl]oxiranyl]phenyl ester 83.64
C00046759 Hamigeran A
(-)-Hamigeran A		 83.33
C00029558 5-Caffeoylquinic acid methyl ester 83.02
C00003370 Tagitinin F 82.69
C00011611 3-O-Methylsenecioodontol 82.69
C00012115 Ciliarin 82.69
C00020821 Badkhyzin 82.69
C00021130 Microhelenin B 82.69
C00021386 Teferidin 82.69
C00030935 Pd-C-I 82.69
C00034083 Notoserolide B
-O-Senecioylaustricin		 82.69
C00041651 Manaarenolide C
(-)-Manaarenolide C		 82.69
C00041652 Manaarenolide D
(-)-Manaarenolide D		 82.69
C00044993 Pachyclavulariolide Q
(+)-Pachyclavulariolide Q		 82.69
C00011843 (+)-Caleine E
Calein E		 82.35
C00011982 [3aS-(3aalpha,4beta,5beta,6alpha,7abataethenyl-5-(1-formylethenyl)octahydro-7-hydroxy-6-methyl-3-methylene-2-oxo-4-benzofuranyl ester 2-methyl-2-propenoic acid 82.35
C00019848 4-[6,10-Dioxo-neryloxy]-5-methyl coumarin 82.35
C00029540 Cryptochlorogenic acid
4-Caffeoylquinic acid
4-O-Caffeoylquinic acid		 82.35
C00041020 Junipediol A 8-glucoside 82.35
C00045188 6'-Chloroaureol 82.35
C00047534 Pestalotiopsone B 82.35
C00002718 1-Caffeoyl-beta-D-glucose 82.00
C00012910 Subcordatolide E
[3aR-(3aalpha,4aalpha,8beta,8abeta,9abeta)]-2,3,3a,4,4a,7,8,8a,9,9a-Decahydro-5,8a-dimethyl-3-methylene-2-oxonaphtho[2,3-b]furan-8-yl ester 2-methylpropanoic acid		 82.00
C00016871 Resorcinin 82.00
C00018776 Dienomycin A 82.00
C00020076 [1R-[1alpha,2beta(Z),4alpha]]-1,2,3,4-Tetrahydro-7-hydroxy-1,6-dimethyl-4-(1-methylethyl)-2-naphthalenyl ester 2-methyl-2-butenoic acid 82.00
C00020077 [1S-[1alpha,2alpha(Z),4beta]]-1,2,3,4-Tetrahydro-7-methoxy-1,6-dimethyl-4-(1-methylethyl)-2-naphthalenyl ester 2-methyl-2-butenoic acid 82.00
C00021112 2-[4-Methyl-2-(2-methylpropoxy)phenyl]-2-[(2-methylpropoxy)methyl]-oxirane 82.00
C00022437 8betaH,ent-3eta,17-Dioxo-13Z-labden-15-oic acid 82.00
C00022692 Mutisicoumarin 82.00
C00022742 ent-3beta,7beta-Dihydroxy-8(17),13-labdadiene-15-oic acid 82.00
C00029962 Cinnamic acid bornyl ester 82.00
C00030419 Goniodiol-7-monoacetate 82.00
C00032615 2',3'-Dihydro-jatamansin 82.00
C00033694 Capsiconiate 82.00
C00033774 Dihydrocapsiconiate 82.00
C00034402 8alpha-Angeloyloxytannunolide 82.00
C00036336 (1'S,2'S)-Anethole glycol 2'-O-beta-D-glucopyranoside
(+)-(1'S,2'S)-Anethole glycol 2'-O-beta-D-glucopyranoside		 82.00
C00038116 10-Acetoxy-8,9-epoxythymolisobutyrate 82.00
C00038912 Querciformolide B 82.00
C00038916 Cytosporone I 82.00
C00039186 Excavatin B
(+)-Excavatin B		 82.00
C00041182 Taxuside 82.00
C00047533 Pestalotiopsone A 82.00
C00049486 Morinin D 82.00
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