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


and

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




INPUT WORD = C00021647 , 50% or more
[ Metabolite Name : Axisothiocyanate 3 ]
Number of matched data : 82

CID Metabolite Name Structural formula Metabolite Activity Similarity (%)
C00021646 Axamide 3 94.59
C00020115 1-Isothiocyanato-4-muurolene 91.89
C00021665 10-Isothiocyanato-4-cadinene 91.89
C00021668 (1R,6S,7S,10S)-10-Isothiocyanato-4-amorphene
10-Isothiocyanato-4-amorphene		 91.89
C00021670 Axisocyanate 3 91.89
C00038558 Axinisothiocyanate K
(+)-Axinisothiocyanate K		 91.89
C00021648 Axisonitrile 3 89.19
C00038559 Axinisothiocyanate L
(-)-Axinisothiocyanate L		 87.18
C00013549 Axisothiocyanate 1
(1R,3aR,7aR)-Octahydro-1-[(1S)-1-isothiocyanato-2-methylpropyl]-3a-methyl-7-methylene-1H-indene		 86.49
C00021645 Acanthisothiocyanate 3 86.49
C00021651 Axenol
(-)-Axenol
Gleenol		 86.49
C00021652 (+)-Axenol 86.49
C00021666 Acanthene B 86.49
C00042987 Scortechterpene B
(+)-Scortechterpene B		 86.49
C00044095 Artemisinic acid methyl ester 86.49
C00048620 Axinythiocyanate A
(+)-Axinythiocyanate A		 86.49
C00038560 Axinisothiocyanate M
(-)-Axinisothiocyanate M		 84.62
C00013577 (-)-Epipolasin A 84.21
C00021245 Epipolasin B 84.21
C00000213 (+)-Vitrenal 83.78
C00011922 Theonellin isothiocyanate 83.78
C00012821 (1alpha,2beta,4aalpha,8aalpha)-N-[Decahydro-4a-methyl-8-methylene-2-(1-methylethyl)-1-naphthalenyl]-formamide 83.78
C00013552 Axisothiocyanate 4
(1R,3aR,7aR)-Octahydro-1-(1-isothiocyanato-2-methyl-1-propenyl)-3a-methyl-7-methylene-1H-indene		 83.78
C00021664 10-Isothiocyanatoguai-6-ene 83.78
C00037033 Deoxyarteannuin B
Deoxyisoartemisinin C		 83.78
C00037054 Dihydrodeoxyarteannuin B 83.78
C00039328 Halichonadin C
(-)-Halichonadin C		 83.78
C00020143 Pernetic acid A methyl ester 82.05
C00038557 Axinisothiocyanate J
(+)-Axinisothiocyanate J		 82.05
C00048623 Axiplyn C
(+)-Axiplyn C		 82.05
C00013576 Epipolasin A
(1aR,3aS,7S,7aS,7bR)-Decahydro-7-isothiocyanato-1,1,3a,7-tetramethyl-1H-cyclopropa[a]naphthalene		 81.58
C00021211 1-Isothiocyanatoaromadendrane 81.58
C00021241 Axamide 2 81.58
C00021243 10alpha-Isothiocyanatoalloaromadendrane 81.58
C00021244 Axisothiocyanate 2 81.58
C00048594 7-epi-Neoptilocaulin
(+)-7-epi-Neoptilocaulin		 81.58
C00048972 Epijuvabiol 81.58
C00048973 Epijuvabione
(+)-Epijuvabione		 81.58
C00003120 alpha-Cubebene 81.08
C00003141 Helminthosporol 81.08
C00011694 [R-(R*,R*)]-4-(1-Isocyanato-1,5-dimethyl-4-hexenyl)-1-methyl-cyclohexene 81.08
C00012034 Temisin 81.08
C00012822 (1alpha,2beta,4aalpha,8aalpha)-Decahydro-1-isocyano-4a-methyl-8-methylene-2-(1-methylethyl)-naphthalene
6-Isocyano-4(15)-eudesmene		 81.08
C00013244 Axamide 1
[1R-[1alpha(S*),3aalpha,7aalpha]]-N-[2-Methyl-1-(octahydro-3a-methyl-7-methylene-1H-inden-1-yl)propyl]formamide		 81.08
C00013548 Axamide 4
N-[2-Methyl-1-[(1R,3aR,7aR)-octahydro-3a-methyl-7-methylene-1H-inden-1-yl]-1-propenyl]-formamide		 81.08
C00016474 Sulfinemycin 81.08
C00017520 Amorpha-4,11-diene
(-)-Amorpha-4,11-diene
4,11-Amorphadiene
Amorphadiene		 81.08
C00017521 Arteannuic acid
Artemisic acid
Artemisinic acid
Artemisininic acid
Qing Hau acid		 81.08
C00020049 gamma2-Cadinene
3,10(14)-Cadinadiene		 81.08
C00020129 (+)-Sclerosporal 81.08
C00020138 10-Hydroxy-4-muurolen-3-one 81.08
C00020150 delta-Cadinol
(-)-Torreyol
Torreyol
Cedreanol
Sesquigoyol		 81.08
C00020154 tau-Muurolol
epi-alpha-Muurolol
T-Muurolol		 81.08
C00020226 9-Oxoageraphorone 81.08
C00020227 9beta-Hydroxyageraphorone 81.08
C00020289 Cinnamolide 81.08
C00021242 Axisonitrile 2 81.08
C00021427 6-Isodaucene 14-isothiocyanate 81.08
C00021667 7-Isothiocyanato-7,8-dihydro-alpha-bisabolene 81.08
C00021929 Koidzumiol 81.08
C00022330 Periplanone A 81.08
C00030130 Dihydroartemisinic acid
(-)-Dihydroartemisinic acid		 81.08
C00030345 gamma-Cadinene 81.08
C00030609 Kikkanol A
(+)-Kikkanol A		 81.08
C00030615 Kikkanol F
(-)-Kikkanol F		 81.08
C00032374 Artemisinic alcohol
trans-Arteannuic alcohol		 81.08
C00033140 Madolin E
(+)-Madolin E		 81.08
C00033144 Madolin I
(+)-Madolin I		 81.08
C00034408 CID is old! 81.08
C00034817 Chrysetunone 81.08
C00035108 Ganomastenol D 81.08
C00035828 gamma-Amorphene
(+)-gamma-Amorphene		 81.08
C00035945 4(15)-Aromadendren-12,5alpha-olide
(+)-4(15)-Aromadendren-12,5alpha-olide		 81.08
C00036278 (-)-gamma-Cadinene 81.08
C00036614 6-epi-alpha-Cubebene
(+)-6-epi-alpha-Cubebene		 81.08
C00037106 ent-T-muurolol 81.08
C00038117 10alpha,11-Dihydroxyamorph-4-ene 81.08
C00040179 Rupestrenol
(+)-Rupestrenol		 81.08
C00040747 (+)-T-cadinol 81.08
C00041900 Suberosenone
(+)-Suberosenone		 81.08
C00042986 Scortechterpene A
(+)-Scortechterpene A		 81.08
C00046489 Ulosin A 81.08
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