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


and

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




INPUT WORD = C00021645 , 50% or more
[ Metabolite Name : Acanthisothiocyanate 3 ]
Number of matched data : 52

CID Metabolite Name Structural formula Metabolite Activity Similarity (%)
C00021664 10-Isothiocyanatoguai-6-ene 94.59
C00021211 1-Isothiocyanatoaromadendrane 89.47
C00021243 10alpha-Isothiocyanatoalloaromadendrane 89.47
C00021244 Axisothiocyanate 2 89.47
C00021427 6-Isodaucene 14-isothiocyanate 89.19
C00021644 Acanthisonitrile 3 89.19
C00021666 Acanthene B 89.19
C00021670 Axisocyanate 3 89.19
C00038557 Axinisothiocyanate J
(+)-Axinisothiocyanate J		 87.18
C00048623 Axiplyn C
(+)-Axiplyn C		 87.18
C00013576 Epipolasin A
(1aR,3aS,7S,7aS,7bR)-Decahydro-7-isothiocyanato-1,1,3a,7-tetramethyl-1H-cyclopropa[a]naphthalene		 86.84
C00021241 Axamide 2 86.84
C00021245 Epipolasin B 86.84
C00042870 Ptilocaulin 86.84
C00049930 2-(Formylamino)trachyopsane
(-)-2-(Formylamino)trachyopsane		 86.84
C00011920 Theonellin formamide 86.49
C00011922 Theonellin isothiocyanate 86.49
C00012821 (1alpha,2beta,4aalpha,8aalpha)-N-[Decahydro-4a-methyl-8-methylene-2-(1-methylethyl)-1-naphthalenyl]-formamide 86.49
C00020115 1-Isothiocyanato-4-muurolene 86.49
C00021646 Axamide 3 86.49
C00021647 Axisothiocyanate 3 86.49
C00021665 10-Isothiocyanato-4-cadinene 86.49
C00021668 (1R,6S,7S,10S)-10-Isothiocyanato-4-amorphene
10-Isothiocyanato-4-amorphene		 86.49
C00030480 6,10,14-Trimethyl-2-pentadecanone
Hexahydrofarnesyl acetone
6,10,14-Trimethylpentadecan-2-one
Perhydrofarnesyl acetone
Hexahydrofarnesy acetone		 86.49
C00038558 Axinisothiocyanate K
(+)-Axinisothiocyanate K		 86.49
C00047334 Phytone
(+)-Phytone		 86.49
C00013577 (-)-Epipolasin A 84.21
C00021604 Nidifocene 84.21
C00048594 7-epi-Neoptilocaulin
(+)-7-epi-Neoptilocaulin		 84.21
C00003245 Dehydrocostus lactone 83.78
C00003394 Xanthatin 83.78
C00013244 Axamide 1
[1R-[1alpha(S*),3aalpha,7aalpha]]-N-[2-Methyl-1-(octahydro-3a-methyl-7-methylene-1H-inden-1-yl)propyl]formamide		 83.78
C00013549 Axisothiocyanate 1
(1R,3aR,7aR)-Octahydro-1-[(1S)-1-isothiocyanato-2-methylpropyl]-3a-methyl-7-methylene-1H-indene		 83.78
C00016474 Sulfinemycin 83.78
C00020338 2-Deacetoxy-11beta,13-dihydroxanthinin 83.78
C00021242 Axisonitrile 2 83.78
C00021648 Axisonitrile 3 83.78
C00021709 4-Dihydrotomentosin 83.78
C00021710 8-epi-Tomentosin 83.78
C00021838 Pulicaral 83.78
C00021977 2-Isocyanopupukeanane 83.78
C00035945 4(15)-Aromadendren-12,5alpha-olide
(+)-4(15)-Aromadendren-12,5alpha-olide		 83.78
C00042986 Scortechterpene A
(+)-Scortechterpene A		 83.78
C00043115 Vittatalactone 83.78
C00050396 Pogostol O-methyl ether
(-)-Pogostol O-methyl ether		 83.78
C00038548 Axinisothiocyanate A
(-)-Axinisothiocyanate A		 82.93
C00038549 Axinisothiocyanate B
(-)-Axinisothiocyanate B		 82.93
C00038550 Axinisothiocyanate C
(+)-Axinisothiocyanate C		 82.93
C00038551 Axinisothiocyanate D
(+)-Axinisothiocyanate D		 82.93
C00038552 Axinisothiocyanate E
(+)-Axinisothiocyanate E		 82.93
C00038553 Axinisothiocyanate F
(-)-Axinisothiocyanate F		 82.93
C00038554 Axinisothiocyanate G
(+)-Axinisothiocyanate G		 82.93
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