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


and

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




INPUT WORD = C00012845 , 50% or more
[ Metabolite Name : 1-keto-alpha-Cyperone ]
Number of matched data : 103

CID Metabolite Name Structural formula Metabolite Activity Similarity (%)
C00012761 1,2-Dehydro-alpha-cyperone
(+)-Eudesma-1,4,11-trien-3-one
(4aS-cis)-5,6,7,8-Tetrahydro-1,4a-dimethyl-7-(1-methylethenyl)-2(4aH)-naphthalenone		 94.29
C00022015 Ligucyperonol 94.29
C00012760 (+)-12-Hydroxy-alpha-cyperone
(4aS-cis)-4,4a,5,6,7,8-Hexahydro-7-[1-(hydroxymethyl)ethenyl]-1,4a-dimethyl-2(3H)-naphthalenone		 91.43
C00020078 (1R-trans)-1,2,3,4-Tetrahydro-7-hydroxy-6-methyl-4-(1-methylethyl)-1-naphthalenemethanol 91.43
C00020117 Mansonone A
5,6,7,8-Tetrahydro-5-isopropyl-3,8-dimethyl-1,2-naphthoquinone		 91.43
C00029437 2,7-dihydroxy-11,12-dehydrocalamenene
(-)-2,7-dihydroxy-11,12-dehydrocalamenene		 91.43
C00044508 Ainigmaptilone A
(+)-Ainigmaptilone A		 91.43
C00003364 Santonin
Semenen
(-)-alpha-Santonin
(-)-Santonin
a-Santonin
[3S-(3alpha,3aalpha,5abeta,9bbeta)]-3a,5,5a,9b-Tetrahydro-3,5a,9-trimethylnaphtho[1,2-b]furan-2,8(3H,4H)-dione		 89.47
C00003365 beta-Santonin
[3R-(3alpha,3abeta,5aalpha,9balpha)]-3a,5,5a,9b-Tetrahydro-3,5a,9-trimethylnaphtho[1,2-b]furan-2,8(3H,4H)-dione		 89.47
C00012942 (-)-Yomogin
[3aR-(3aalpha,8abeta,9aalpha)]-3a,8a,9,9a-Tetrahydro-5,8a-dimethyl-3-methylenenaphtho[2,3-b]furan-2,6(3H,4H)-dione		 89.47
C00012693 Heterophyllol
(4alpha,4aalpha,7alpha)-(+)-4,4a,5,6,7,8-hexahydro-4-hydroxy-7-[1-(hydroxymethyl)ethenyl]-1,4a-dimethyl-2(3H)-naphthalenone		 89.19
C00043340 Canusesnol A
(-)-Canusesnol A		 89.19
C00003141 Helminthosporol 88.57
C00012048 Occidiol
Occidenol		 88.57
C00012724 alpha-Costic acid
Eudesma-3,11(13)-dien-12-oic acid
[2R-(2alpha,4aalpha,8abeta)]-1,2,3,4,4a,5,6,8a-Octahydro-4a,8-dimethyl-alpha-methylene-2-naphthaleneacetic acid		 88.57
C00012734 alpha-Dictyopterol
Eudesma-3,11-dien-1beta-ol
[1S-(1alpha,4abeta,6alpha,8aalpha)]-1,2,4a,5,6,7,8,8a-Octahydro-4,8a-dimethyl-6-(1-methylethenyl)-1-naphthalenol		 88.57
C00012759 (+)-alpha-Cyperone
Eudesma-4,11-dien-3-one
(4aS-cis)-4,4a,5,6,7,8-Hexahydro-1,4a-dimethyl-7-(1-methylethenyl)-2(3H)-naphthalenone		 88.57
C00012777 alpha-Chenopodiol
[1R-(1alpha,2beta,4abeta,8aalpha)]-1,2,3,4,4a,5,6,8a-octahydro-1-hydroxy-alpha,alpha,4a,8-tetramethyl-2-naphthalenemethanol		 88.57
C00012854 Aubergenone
Mangeudesmenone
[1R-(1alpha,4aalpha,7alpha,8abeta)]-4a,5,6,7,8,8a-Hexahydro-7-(1-hydroxy-1-methylethyl)-1,4a-dimethyl-2(1H)-naphthalenone		 88.57
C00020069 3-Hydroxy-beta-calacorene 88.57
C00020107 Schisandronol 88.57
C00020174 (1S,3R,4S)-Calamenene-3,7-diol 88.57
C00021240 ent-Cyclocolorenone
(+)-Cyclocolorenone		 88.57
C00021424 Aphanamol II 88.57
C00021425 Aphanamol I 88.57
C00030184 CID is old! 88.57
C00037012 Dehydrocarissone 88.57
C00044509 Ainigmaptilone B
(-)-Ainigmaptilone B		 88.57
C00047669 4-Hydroxy-10-epirotundone
(-)-4-Hydroxy-10-epirotundone		 88.57
C00049948 3-Hydroxysolavetivone
(+)-3-Hydroxysolavetivone		 88.57
C00012944 Virginin
[3S-(3alpha,3abeta,4abeta,8aalpha,9abeta)]-3a,4a,5,8a,9,9a-Hexahydro-3,8a-dimethyl-5-methylenenaphtho[2,3-b]furan-2,6(3H,4H)-dione		 86.84
C00012836 3-Oxocostusic acid
(2R-cis)-1,2,3,4,4a,5,6,7-Octahydro-4a,8-dimethyl-alpha-methylene-7-oxo-2-naphthaleneacetic acid		 86.49
C00012844 [2R-(2alpha,4aalpha,8abeta)]-1,2,3,4,4a,7,8,8a-Octahydro-4a-methyl-alpha,8-bis(methylene)-7-oxo-2-naphthaleneacetic acid 86.49
C00020168 3,5-Dihydro-8-hydroxy-5-isopropyl-2,7-dimethyl-1-benzoxepin-4(2H)-one 86.49
C00020180 (1S,3R,4R)-Calamenene-3,4,7-triol 86.49
C00043860 rel-1beta,3alpha,6beta-Trihydroxyeudesm-4-ene 86.49
C00013036 Gazaniolide
[3aS-(3aalpha,5abeta,9aalpha,9bbeta)]-3a,4,5,5a,9a,9b-Hexahydro-5a,9-dimethyl-3-methylenenaphtho[1,2-b]furan-2(3H)-one		 86.11
C00017376 8,12-Epoxy-10alpha-Eremophila-7,11-dien-9-one 86.11
C00020710 Tannunolide B 86.11
C00020711 Tannunolide A 86.11
C00021843 Terrecyclol 86.11
C00033138 Madolin A
(+)-Madolin A		 86.11
C00003140 Helminthosporal 85.71
C00003163 Lubimin 85.71
C00011547 Anhydrotrisporone 85.71
C00012015 Periplocadiol
(1alpha,2alpha,4alpha,6alpha)-(-)-1-Ethenyl-2-hydroxy-4,6-bis(1-methylethenyl)-cyclohexanemethanol		 85.71
C00012545 (-)-Herbertenediol
Herbertenediol(S)-5-Methyl-3-(1,2,2-trimethylcyclopentyl)-1,2-benzenediol		 85.71
C00012719 [2R-(2alpha,4aalpha,5beta,8abeta)]-1,2,3,4,4a,5,6,8a-Octahydro-5-hydroxy-4a,8-dimethyl-b-methylene-2-naphthaleneethanol
Cnicothamnol		 85.71
C00012720 Cnicothamnal
[2R-(2alpha,4aalpha,5beta,8abeta)]-1,2,3,4,4a,5,6,8a-Octahydro-5-hydroxy-4a,8-dimethyl-a-methylene-2-naphthaleneacetaldehyde		 85.71
C00012723 (+)-7-Hydroxycostal 85.71
C00012726 (+/-)-Isocostic acid
Isocostic acid
cis-1,2,3,4,4a,5,6,7-Octahydro-4a,8-dimethyl-alpha-methylene-2-naphthaleneacetic acid		 85.71
C00012733 [1R-(1alpha,6alpha,8aalpha)]-1,2,6,7,8,8a-Hexahydro-4,8a-dimethyl-6-(1-methylethyl)-1-naphthalenol 85.71
C00012737 alpha-Costol
(-)-alpha-Costol
[2R-(2alpha,4aalpha,8abeta)]-1,2,3,4,4a,5,6,8a-Octahydro-4a,8-dimethyl-beta-methylene-2-naphthaleneethanol		 85.71
C00012740 Cyperol 85.71
C00012790 alpha-Corymbolol
1,[1S-(1alpha,4beta,4aalpha,6beta,8abeta)]-Octahydro-4,8a-dimethyl-6-(1-methylethenyl)-4a(2H)-naphthalenediol		 85.71
C00012791 Corymbolone
[4S-(4alpha,4abeta,6alpha,8aalpha)]-Octahydro-4a-hydroxy-4,8a-dimethyl-6-(1-methylethenyl)-1(2H)-naphthalenone		 85.71
C00012827 [3R-(3alpha,4abeta,7beta)]-2,3,4,4a,5,6,7,8-Octahydro-3-hydroxy-4a-methyl-7-(1-methylethenyl)-1-naphthalenecarboxaldehyde 85.71
C00012841 alpha-Rotunol
[4aS-(4aalpha,6beta,8abeta)]-4a,5,6,7,8,8a-hexahydro-4a-hydroxy-4,8a-dimethyl-6-(1-methylethenyl)-2(1H)-naphthalenone		 85.71
C00012842 (+)-beta-Rotunol
beta-Rotunol
[4aR-(4aalpha,6alpha,8aalpha)]-4a,5,6,7,8,8a-hexahydro-4a-hydroxy-4,8a-dimethyl-6-(1-methylethenyl)-2(1H)-naphthalenone		 85.71
C00012853 Isocorymbolone
[4R-(4a,4aa,6b,8a,8ab)]-Octahydro-8-hydroxy-4,8a-dimethyl-6-(1-methylethenyl)-1(2H)-naphthalenone		 85.71
C00013204 Secocrispiolide
(S)-4-[(2,6-Dimethylphenyl)methyl]tetrahydro-3-methylene-2H-pyran-2-one		 85.71
C00017017 4-Hydroxy-2-oxovalencene
[4S-(4alpha,4abeta,6alpha)]-4,4a,5,6,7,8-Hexahydro-4-hydroxy-4,4a-dimethyl-6-(1-methylethyl)-2(3H)-naphthalenone		 85.71
C00017514 Kanokonol
14-Hydroxyvaleranone		 85.71
C00020068 3-Hydroxy-alpha-calacorene 85.71
C00020134 gamma-Muurolen-15-oic acid 85.71
C00020138 10-Hydroxy-4-muurolen-3-one 85.71
C00020140 Pernetol 85.71
C00020141 Pernetal 85.71
C00020144 Isoepicubenol 85.71
C00020145 1-Epicubenol
Epicubenol		 85.71
C00020146 1-epi-Cubenol
(+)-ent-Epicubenol
epi-Cubenol		 85.71
C00020155 Pernetic acid B 85.71
C00020177 3-Hydroxy-8-calamenenone
(1S,4R)-7-Hydroxycalamenen-3-one		 85.71
C00020200 3-Methoxy-14-norcalamenene 85.71
C00020226 9-Oxoageraphorone 85.71
C00020227 9beta-Hydroxyageraphorone 85.71
C00020335 Polygonone 85.71
C00020417 11-Hydroxy-4-guaien-3-one 85.71
C00021206 Tridensenone 85.71
C00021323 Marsupellone 85.71
C00021564 Isofurodysinin 85.71
C00021900 Alpiniol 85.71
C00021910 Cyperolone 85.71
C00029421 CID is old! 85.71
C00029866 Cadina-1,4-diene
Cadina-1(2),4-diene
Cubenene
Cadine-1,4-diene		 85.71
C00029926 Chabrolidione A 85.71
C00031641 Cadin-10(14)-ene-4beta,5alpha-diol
(-)-Cadin-10(14)-ene-4beta,5alpha-diol		 85.71
C00033700 Carissone
(+)-Carissone		 85.71
C00034498 Engelhardic acid 85.71
C00034980 (-)-7-Hydroxycalamenene 85.71
C00036128 Isovaleroyloxylinalool 85.71
C00036277 (-)-Eudesma-3,11-dien-5-ol 85.71
C00036618 6-epi-Cubenol
(+)-6-epi-Cubenol		 85.71
C00037349 Itomanol
(-)-Itomanol		 85.71
C00037935 Trifarienol A
(+)-Trifarienol A		 85.71
C00037936 Trifarienol B
(-)-Trifarienol B		 85.71
C00037939 Trifarienol E 85.71
C00037985 Verticillatol
(-)-Verticillatol		 85.71
C00039902 Oleodaphnone
(+)-Oleodaphnone		 85.71
C00042890 Pulioplopanone A
(-)-Pulioplopanone A		 85.71
C00046455 Teclenone A
(+)-Teclenone A		 85.71
C00047214 Dihydroxybergamotene 85.71
C00049060 1,2-Dehydro-3-oxo-beta-gurjunene
(+)-1,2-Dehydro-3-oxo-beta-gurjunene		 85.71
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