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


and

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




INPUT WORD = C00012842 , 50% or more
[ Metabolite Name : (+)-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 ]
Number of matched data : 115

CID Metabolite Name Structural formula Metabolite Activity Similarity (%)
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		 100.00
C00040944 Dictyophorin A 97.22
C00012756 [4aR-(4aalpha,6beta,8aalpha)]-4a,5,6,7,8,8a-Hexahydro-4,8a-dimethyl-6-(1-methylethenyl)-2(1H)-naphthalenone 94.29
C00012757 [4aS-(4aalpha,6alpha,8abeta)]-4a,5,6,7,8,8a-Hexahydro-4,8a-dimethyl-6-(1-methylethenyl)-2(1H)-naphthalenone 94.29
C00012758 [4aS-(4aalpha,6alpha,8aalpha)]-4a,5,6,7,8,8a-Hexahydro-4,8a-dimethyl-6-(1-methylethenyl)-2(1H)-naphthalenone 94.29
C00012855 Isopterocarpolone
[4aR-(4aalpha,6beta,8abeta)]-4a,5,6,7,8,8a-Hexahydro-6-(1-hydroxy-1-methylethyl)-4,8a-dimethyl-2(1H)-naphthalenone		 94.29
C00036277 (-)-Eudesma-3,11-dien-5-ol 94.29
C00040945 Dictyophorin B 94.29
C00047877 Fetidone B
(+)-Fetidone B		 94.29
C00012834 [2R-(2alpha,4aalpha,8abeta)]-1,2,3,4,4a,5,6,8a-Octahydro-4a,8-dimethyl-alpha-methylene-6-oxo-2-naphthaleneacetic acid 91.89
C00021320 10-Hydroxy-3-longipinen-5-one 91.67
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		 91.43
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		 91.43
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		 91.43
C00012766 (-)-10-epi-5beta,11-Dihydroxyeudesmane
[2R-(2alpha,4abeta,8alpha,8aalpha)]-Decahydro-8a-hydroxy-a,a,4a,8-tetramethyl-2-naphthalenemethanol		 91.43
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		 91.43
C00012843 Chenopodienolone
(6R-cis)-6,7,8,8a-Tetrahydro-6-(1-hydroxy-1-methylethyl)-4,8a-dimethyl-2(1H)-naphthalenone		 91.43
C00013100 Dehydrodeoxybaimuxinol
alpha-Agarofuran		 91.43
C00013105 beta-Agarofuran
[3R-(3alpha,5aalpha,9aalpha)]-Octahydro-2,2,5a-trimethyl-9-methylene-2H-3,9a-methano-1-benzoxepin		 91.43
C00021325 Vulgarone B 91.43
C00021870 Mustakone 91.43
C00021927 11-Hydroxyjasionone 91.43
C00022006 Cyperusol C 91.43
C00022330 Periplanone A 91.43
C00043618 Isolemnalol
(-)-Isolemnalol		 91.43
C00044397 (+)-7alpha,8alpha-Epoxyblumenol B 91.43
C00045807 Cubebenone
(+)-Cubebenone		 91.43
C00043342 Canusesnol C
(+)-Canusesnol C		 89.74
C00012912 Pinnatifidin (Helenium)
[3aR-(3aalpha,4aalpha,8abeta,9aalpha)]-3,3a,4,4a,8,8a,9,9a-Octahydro-5,8a-dimethyl-3-methylenepinnatifidin
Naphtho[2,3-b]furan-2,7-dione		 89.47
C00003202 Warburganal 89.19
C00012698 [4aR-(4aalpha,5alpha,6beta,8abeta)]-4a,5,6,7,8,8a-Hexahydro-5-hydroxy-6-(1-hydroxy-1-methylethyl)-4,8a-dimethyl-2(1H)-naphthalenone 89.19
C00012833 2-Hydroxyisocostic acid 89.19
C00021603 Laurencenone A 89.19
C00021613 2-Chloro-3-hydroxy-7-chamigren-9-one 89.19
C00030611 Kikkanol C
(+)-Kikkanol C		 89.19
C00038316 7alpha-Hydroxyisopterocarpolone 89.19
C00047844 Deoxyuvidin B 89.19
C00012879 (+)-Isoalloalantolactone
Isoalloalantolactone
[3aR-(3aalpha,4aalpha,8abeta,9aalpha)]-3a,4,4a,7,8,8a,9,9a-Octahydro-5,8a-dimethyl-3-methylenenaphtho[2,3-b]furan-2(3H)-one		 88.89
C00012880 Diplophyllolide A
[3aS-(3aalpha,4aalpha,8abeta,9aalpha)]-3a,4,4a,7,8,8a,9,9a-Octahydro-5,8a-dimethyl-3-methylenenaphtho[2,3-b]furan-2(3H)-one		 88.89
C00013104 4-Hydroxydihydroagarofuran
[3R-(3alpha,5aalpha,9alpha,9aalpha)]-Octahydro-2,2,5a,9-tetramethyl-2H-3,9a-methano-1-benzoxepin-9-ol		 88.89
C00020060 Isokhusinoloxide 88.89
C00030615 Kikkanol F
(-)-Kikkanol F		 88.89
C00003118 Copaene
(-)-alpha-Copaene
alpha-Copaene		 88.57
C00003163 Lubimin 88.57
C00003203 alpha-Ylangene 88.57
C00011570 (+)-Pallescensone
Pallescensone		 88.57
C00011676 6-(1,5-Dimethyl-4-hexenyl)-6-hydroxy-3-methyl-2-cyclohexen-1-one 88.57
C00011699 (-)-Puliglene
beta-Pulignene
Puliglene		 88.57
C00011715 Periplanone C
Periplanone D1		 88.57
C00011716 (-)-Periplanone D
Periplanone D
Periplanone D2		 88.57
C00012048 Occidiol
Occidenol		 88.57
C00012435 (-)-5-Hydroperoxylepidoza-1(10),4(14)-diene
5-Hydroperoxylepidoza-1(10),4(14)-diene		 88.57
C00012487 Buddledin B 88.57
C00012709 (-)-alpha-Helmiscapene
alpha-Helmiscapene
[2S-(2a,4ab,8ab)]-1,2,3,4,4a,5,6,8a-octahydro-4a,8-dimethyl-2-(1-methylethenyl)naphthalene		 88.57
C00012710 5beta,10alpha-Eudesma-3,11-diene 88.57
C00012711 [2R-(2alpha,4aalpha,8aalpha)]-1,2,3,4,4a,5,6,8a-Octahydro-4a,8-dimethyl-2-(1-methylethenyl)naphthalene 88.57
C00012723 (+)-7-Hydroxycostal 88.57
C00012733 [1R-(1alpha,6alpha,8aalpha)]-1,2,6,7,8,8a-Hexahydro-4,8a-dimethyl-6-(1-methylethyl)-1-naphthalenol 88.57
C00012736 Ent-8beta-hydroxyeudesma-3,11-diene
[2S-(2alpha,3alpha,4abeta,8aalpha)]-1,2,3,4,4a,7,8,8a-Octahydro-5,8a,dimethyl-3-(1-methylethenyl)-2-naphthalenol		 88.57
C00012755 (4aR-cis)-4a,5,6,7,8,8a-Hexahydro-4,8a-dimethyl-6-(1-methylethylidene)-2(1H)-naphthalenone 88.57
C00012778 Voleneol
Eudesm-4(15)-ene-1beta,6alpha-diol
1beta,6alpha-Dihydroxyeudesm-4(15)-ene
[1S-(1alpha,2beta,4abeta,5beta,8aalpha)]-Decahydro-4a-methyl-8-methylene-2-(1-methylethyl)-1,5-naphthalenediol		 88.57
C00012780 Platambin
[1S-(1alpha,2beta,4aalpha,5alpha,8abeta)]-Decahydro-4a-methyl-8-methylene-2-(1-methylethyl)-1,5-naphthalenediol		 88.57
C00012782 (+)-Pterocarpol
Eudesm-4(14)-ene-2a,11-diol
[2R-(2alpha,4aalpha,6beta,8abeta)]-decahydro-6-hydroxy-alpha,alpha,4a-trimethyl-8-methylene-2-naphthalenemethanol		 88.57
C00012790 alpha-Corymbolol
1,[1S-(1alpha,4beta,4aalpha,6beta,8abeta)]-Octahydro-4,8a-dimethyl-6-(1-methylethenyl)-4a(2H)-naphthalenediol		 88.57
C00012791 Corymbolone
[4S-(4alpha,4abeta,6alpha,8aalpha)]-Octahydro-4a-hydroxy-4,8a-dimethyl-6-(1-methylethenyl)-1(2H)-naphthalenone		 88.57
C00012801 alpha-Verbesinol
[1R-(1alph,2alpha,4aalpha,8abeta)]-1,2,3,4,4a,5,6,8a-Octahydro-4a,8-dimethyl-2-(1-methylethyl)-1-naphthalenol		 88.57
C00012802 Isoacolamone
[2S-(2alpha,4aalpha,8abeta)]-3,4,4a,5,6,8a-Hexahydro-4a,8-dimethyl-2-(1-methylethyl)-1(2H)-naphthalenone		 88.57
C00012803 7-epi-alpha-Eudesmol
[2S-(2alpha,4abeta,8aalpha)]-1,2,3,4,4a,5,6,8a-Octahydro-alpha,alpha,4a,8-tetramethyl-2-naphthalenemethanol		 88.57
C00012804 Eudesm-4(15)-en-5-ol
[3R-(3alpha,4abeta,8aalpha)]-Octahydro-8a-methyl-5-methylene-3-(1-methylethyl)-4a(2H)-naphthalenol		 88.57
C00012827 [3R-(3alpha,4abeta,7beta)]-2,3,4,4a,5,6,7,8-Octahydro-3-hydroxy-4a-methyl-7-(1-methylethenyl)-1-naphthalenecarboxaldehyde 88.57
C00013103 Deoxybaimuxinol
Dihydro-beta-agarofuran
trans-Dihydroagarofuran
[3R-(3alpha,5aalpha,9alpha,9aalpha)]-Octahydro-2,2,5a,9-tetramethyl-2H-3,9a-methano-1-benzoxepin		 88.57
C00013589 Ent-maaliane-5-ol
(1aS,3aR,7S,7aS,7bR)-Decahydro-1,1,3a,7-tetramethyl-7aH-cyclopropa[a]naphthalen-7a-ol		 88.57
C00016952 Albaflavenone 88.57
C00020117 Mansonone A
5,6,7,8-Tetrahydro-5-isopropyl-3,8-dimethyl-1,2-naphthoquinone		 88.57
C00020144 Isoepicubenol 88.57
C00020390 Aciphyllic acid 88.57
C00020415 1-Hydroxy-4,11-guaiadien-3-one 88.57
C00021206 Tridensenone 88.57
C00021253 Plagiochilal A
Hanegokedial		 88.57
C00021865 Copadiene 88.57
C00021897 4,5-Seco-3,5-longibornanedione 88.57
C00021915 Dipterolone 88.57
C00023915 Dihydroprehelminthosporol 88.57
C00029298 (+)-Dehydrovomifoliol
Dehydrovomifoliol
S-(+)-Dehydrovomifoliol		 88.57
C00029672 alpha-Selinene
(-)-alpha-Selinene		 88.57
C00029678 alpha-Maaliene 88.57
C00029834 (+)-Blumenol A
Blumenol A
Roseoside aglycon
Vomifoliol
(+)-Vomifoliol		 88.57
C00029926 Chabrolidione A 88.57
C00030026 Cucumegastigmane I 88.57
C00030189 epi-alpha-Selinene 88.57
C00030610 Kikkanol B
(-)-Kikkanol B		 88.57
C00031161 Rhombidiol
(-)-Rhombidiol		 88.57
C00031641 Cadin-10(14)-ene-4beta,5alpha-diol
(-)-Cadin-10(14)-ene-4beta,5alpha-diol		 88.57
C00033140 Madolin E
(+)-Madolin E		 88.57
C00033145 Madolin J
(+)-Madolin J		 88.57
C00035896 Vulgarol B 88.57
C00036276 (-)-Eudesma-2,4(15)-11-triene 88.57
C00036292 (-)-trans-Selina-4(15),11-dien-5-ol 88.57
C00036298 (+)-alpha-Selinene 88.57
C00037125 Eudesm-4(15)-en-7-ol
(+)-Eudesm-4(15)-en-7alpha-ol		 88.57
C00037349 Itomanol
(-)-Itomanol		 88.57
C00037985 Verticillatol
(-)-Verticillatol		 88.57
C00038047 (-)-7-epi-Isojunenol 88.57
C00038725 Chaenocephalol 88.57
C00042289 Blumenol B 88.57
C00042890 Pulioplopanone A
(-)-Pulioplopanone A		 88.57
C00043348 Canusesnol I
(+)-Canusesnol I		 88.57
C00043547 Godotol B
(-)-Godotol B		 88.57
C00043675 Lubiminol
(+)-Lubiminol		 88.57
C00044484 7-Epi-eudesm-4(15)-ene-1beta,6beta-diol 88.57
C00047669 4-Hydroxy-10-epirotundone
(-)-4-Hydroxy-10-epirotundone		 88.57
C00048297 7-epi-alpha-Selinene 88.57
C00048826 Polydactin B
(+)-Polydactin B		 88.57
C00049060 1,2-Dehydro-3-oxo-beta-gurjunene
(+)-1,2-Dehydro-3-oxo-beta-gurjunene		 88.57
C00050331 Artabotrol 88.57
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