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


and

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




INPUT WORD = C00021591 , 50% or more
[ Metabolite Name : Obtusadiene ]
Number of matched data : 110

CID Metabolite Name Structural formula Metabolite Activity Similarity (%)
C00021592 Isoobtusadiene 94.29
C00042465 Deschloroelatol 94.29
C00021598 Elatol 89.19
C00011652 alpha-Bisabolol oxide B
(-)-alpha-Bisabolol oxide B
(-)-Bisabolol oxide B
Bisabolol oxide II		 88.57
C00011902 Pseudotsugonal 88.57
C00021599 4-Chloro-3,7(14)-chamigradien-9-ol 88.57
C00038063 (+)-(10S)-Bromo-beta-chamigrene 88.57
C00011597 2-Methyl-6-(4-methyl-3-cyclohexen-1-yl)-6-heptene-2,3-diol 85.71
C00011608 Dihydro-beta-atlantone 85.71
C00011639 alpha-Turmerone 85.71
C00011651 (-)-alpha-Bisabolol oxide A
alpha-Bisabolol oxide
alpha-Bisabolol oxide A
Bisabolol oxide A
Bisabolol oxide I
Bisaboloxide A		 85.71
C00011901 ar-Pseudotsugonal
(R)-4-(1,5-Dimethyl-3-oxohexyl)-benzaldehyde		 85.71
C00012504 alpha-bromocuparane
alpha-Bromocuparene
Bromocuparene
(1S-trans)-1-(3-Bromo-1,2,2-trimethylcyclopentyl)-4-methylbenzene		 85.71
C00012690 [1R-(1alpha,4alpha,4aalpha,8abeta)]-4-Bromo-1,2,3,4,4a,5,8,8a-octahydro-1,4a-dimethyl-7-(1-methylethyl)-1-naphthalenol 85.71
C00013557 Oppositol
(3S,3aS,4R,7S,7aS)-7-Bromooctahydro-4,7a-dimethyl-3-(2-methyl-1-propenyl)-1H-inden-4-ol		 85.71
C00013583 (-)-Lindenene
(4aS,5aS,6aR,6bS)-4,4a,5,5a,6,6a,6b,7-Octahydro-3,6b-dimethyl-5-methylenecycloprop[2,3]indeno[5,6-b]furan		 85.71
C00020174 (1S,3R,4S)-Calamenene-3,7-diol 85.71
C00020226 9-Oxoageraphorone 85.71
C00020227 9beta-Hydroxyageraphorone 85.71
C00021585 Acoronene 85.71
C00021723 alpha-Biotol 85.71
C00034802 Bisabolol oxide B 85.71
C00038340 9-Deoxyelatol
(+)-9-Deoxyelatol		 85.71
C00042034 10-epi-7,10-epoxy-ar-bisabol-11-ol 85.71
C00042167 7,10-Epoxy-ar-bisabol-11-ol 85.71
C00047877 Fetidone B
(+)-Fetidone B		 85.71
C00020180 (1S,3R,4R)-Calamenene-3,4,7-triol 83.78
C00020228 [1S-(1alpha,4alpha,4aalpha,8aalpha)]-1,3,4,4a,5,8a-Hexahydro-1-hydroxy-4,7-dimethyl-1-(1-methylethyl)-2,6-naphthalenedione 83.78
C00020774 (1S,3R,4S)-Calamenene-3,4,7-triol 83.78
C00011602 Yingzhaosu B 83.33
C00011603 Yingzhaosu D 83.33
C00011900 (+/-)-ar-Todomatuic acid
ar-Todomatuic acid
(R)-4-(1,5-Dimethyl-3-oxohexyl)benzoic acid		 83.33
C00011903 (+)-Todomatuic acid 83.33
C00011904 (+)-Epitodomatuic acid
Epitodomatuic acid		 83.33
C00012564 (+)-2-(Bromomethyl)-2,3,4,5-tetrahydro-5,8,10-trimethyl-2,5-methano-1-benzoxepin 83.33
C00034817 Chrysetunone 83.33
C00003113 Centarol 82.86
C00003116 beta-Chamigrene 82.86
C00003204 alpha-Zingiberene
Zingiberene
(-)-Zingiberene
l-Zingiberene		 82.86
C00011574 beta-Snyderol 82.86
C00011589 (+)-Isoaminobisabolenol b
Isoaminobisabolenol b		 82.86
C00011590 (+)-Isoaminobisabolenol a
Isoaminobisabolenol a		 82.86
C00011601 (E)-5-(1,5-Dimethyl-3-oxo-1-hexenyl)-2-methyl-2-cyclohexen-1-one 82.86
C00011605 Laggerol 82.86
C00011625 (+)-ar-Turmerone
(S)-ar-Turmerone
ar-Tumerone		 82.86
C00011626 2-Methyl-6-(4-methylphenyl)-1-hepten-3-one
1,3,5,11-Bisabolatetraen-10-one		 82.86
C00011627 1,3,5-Bisabolatrien-10-one
2-Methyl-6-(4-methylphenyl)-3-heptanone		 82.86
C00011635 (+)-Curcudiol
(S)-(+)-Curcudiol
Curcudiol		 82.86
C00011637 Helianthol A
[R-(E)]-2-Methyl-6-(4-methyl-3-cyclohexen-1-yl)-4,6-heptadien-2-ol		 82.86
C00011640 Curlone
[S-(R*,R*)]-2-Methyl-6-(4-methylene-2-cyclohexen-1-yl)-2-hepten-4-one		 82.86
C00011641 Turmerone
(S)-2-Methyl-6-(4-methyl-1,4-cyclohexadien-1-yl)-2-hepten-4-one		 82.86
C00011646 (+)-beta-Atlantone
beta-Atlantone		 82.86
C00011648 5-[3-(3,3-Dimethyloxiranyl)-1-methylenepropyl]-2-methyl-2-cyclohexen-1-one 82.86
C00011650 Bisabolene oxide 82.86
C00011677 [R-(R*,S*)]-6-Hydroxy-2-methyl-6-(4-methyl-3-cyclohexen-1-yl)-2-hepten-4-one 82.86
C00011970 (+)-Aoifuranone
Aoifuranone		 82.86
C00011972 Curzerenone 82.86
C00012505 (1alpha,3beta,5beta)-(-)-2-(3-Bromo-2,2,5-trimethylcyclopentyl)-5-methylphenol 82.86
C00012514 alpha-Isocuparenol 82.86
C00012515 alpha-Cuparenol 82.86
C00012516 (+)-beta-Cuparenone
beta-Cuparenone
beta-Cuparenone		 82.86
C00012530 Rosulantol 82.86
C00012537 [1S-(1alpha,2beta,5alpha)]-2-(1,2-Dimethylbicyclo[3.1.0]hex-2-yl)-5-methylphenol
Debromolaurinterol		 82.86
C00012580 Laurenisol 82.86
C00012689 Brasudol
[2R-(2alpha,4aalpha,5alpha,8abeta)]-5-Bromodecahydro-a,a,4a-trimethyl-8-methylene-2-naphthalenemethanol		 82.86
C00012744 Isovetiselinenol
1,2,3,4,4a,5,8,8a-Octahydro-8a-methyl-4-methylene-6-(1-methylethyl)-2-naphthalenol		 82.86
C00012788 (-)-Oplodiol
Oplodiol
[1S-(1alpha,4alpha,4aalpha,8abeta)]-1,2,3,4,4a,5,8,8a-Octahydro-1,4a-dimethyl-7-(1-methylethyl)-1,4-naphthalenediol		 82.86
C00012828 (3R-trans)-2,3,4,4a,5,6-Hexahydro-3-hydroxy-4a-methyl-7-(1-methylethyl)-1-naphthalenecarboxaldehyde 82.86
C00012936 Lindestrene
(4aS-trans)-4,4a,5,6,8a,9-Hexahydro-3,8a-dimethyl-5-methylenenaphtho[2,3-b]furan		 82.86
C00012937 Atractylol
Atractylon
Atractyloxide
4,4aalpha,5,6,7,8,8a,9-Octahydro-3,8alphabeta-dimethyl-5-methylenenaphtho[2,3-b]furan		 82.86
C00016695 Cheimonophyllon B 82.86
C00017338 Furoeremophilane 82.86
C00017522 6,7-Dehydroartemisinic acid 82.86
C00020138 10-Hydroxy-4-muurolen-3-one 82.86
C00020140 Pernetol 82.86
C00020141 Pernetal 82.86
C00020150 (-)-delta-Cadinol
delta-Cadinol
(-)-Torreyol
Torreyol
Cedreanol
Sesquigoyol		 82.86
C00020154 tau-Muurolol
epi-alpha-Muurolol
T-Muurolol		 82.86
C00020167 Chromoarnottione 82.86
C00020177 3-Hydroxy-8-calamenenone
(1S,4R)-7-Hydroxycalamenen-3-one		 82.86
C00020202 3-Methoxy-14-nor-10-calamenenone 82.86
C00020224 9-Oxo-10,11-dehydroageraphorone 82.86
C00020277 3beta-Hydroxydrimenol 82.86
C00021285 3-Isopatchoulene 82.86
C00021314 Podocephalol 82.86
C00021317 2-Himachalene-7,12-diol 82.86
C00021433 Epiguadalupol 82.86
C00021590 10-Bromo-2,7-chamigradiene 82.86
C00021593 15-Bromo-1,3(15),7-chamigratrien-9-one 82.86
C00021610 Chamigrenal 82.86
C00021611 Laurencenone C 82.86
C00021923 Isoacanthodoral 82.86
C00021950 Perforene 82.86
C00022495 10-Oxo-10,11H-beta-bisabolene 82.86
C00029681 Amorph-4-en-7-ol 82.86
C00029814 beta-Chamigrene-10-ol 82.86
C00029831 Bisacumol
(+)-Bisacumol		 82.86
C00033724 cis-Cadin-4-en-7-ol 82.86
C00035050 (+)-ar-Dihydroturmerone
ar-Dihydroturmerone		 82.86
C00035053 ar-Turmerol 82.86
C00037106 ent-T-muurolol 82.86
C00037113 Epizonarene
(+)-Epizonarene
epi-Zonarene		 82.86
C00038048 (-)-alpha-Alasken-6beta-ol 82.86
C00038074 (+)-Bisabola-2,10-diene[1,9]oxide 82.86
C00038117 10alpha,11-Dihydroxyamorph-4-ene 82.86
C00040747 (+)-T-cadinol 82.86
C00042680 Laur-11-en-1,10-diol
(-)-Laur-11-en-1,10-diol		 82.86
C00044449 3-epi-Perforenone A 82.86
C00046096 Luzonensin 82.86
C00049250 Parahigginol A
(-)-Parahigginol A		 82.86
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