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


and

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




INPUT WORD = C00011688 , 50% or more
[ Metabolite Name : 3-(Acetyloxy)-5-(1,5-dimethyl-4-hexenyl)-2-methyl-2,5-cyclohexadiene-1,4-dione ]
Number of matched data : 87

CID Metabolite Name Structural formula Metabolite Activity Similarity (%)
C00020131 3-Acetoxy-2-hydroxycalamenene 92.86
C00020178 3-Acetoxy-8-calamenenone
(1S,4R)-7-Acetoxycalamenen-3-one		 90.48
C00011686 O-Methylperezone
(-)-2-(1,5-Dimethyl-4-hexenyl)-3-methoxy-5-methyl-p-benzoquinone		 88.10
C00034773 6,7,9alpha-Trihydroxy-3,8,11alpha-trimethylcyclohexo[d,e]-coumarin
(+)-6,7,9.alpha.-Trihydroxy-3,8,11alpha-trimethylcyclohexo[d,e]coumarin		 88.10
C00046829 Mochiquinone 88.10
C00034806 Blandachromene I
(+)-Blandachromene I
2S-(4-Methyl-3-pentenyl)-6-formyl-8-hydroxy-2,7-dimethyl-2H-chromene		 86.05
C00011615 (E)-2-(1,5-Dimethyl-1,4-hexadienyl)-5-methyl-phenol acetate 85.71
C00011659 Acetoxydelobanone 85.71
C00011661 (-)-Hydroxyperezone
6-Hydroxyperezone
Hydroxyperezone		 85.71
C00012507 (R)-4-Bromo-2-methyl-5-(1,2,2-trimethyl-3-cyclopenten-1-yl)phenol acetate
Cupalaurenol acetate		 85.71
C00012536 [1S-(1alpha,2beta,5alpha)]-4-Bromo-5-(1,2-dimethylbicyclo[3.1.0]hex-2-yl)-2-methylphenol acetate
Cyclolaurenol acetate		 85.71
C00012547 (S)-4-Methyl-6-(1,2,2-trimethylcyclopentyl)-1,3-benzenediol 1-acetate
HM2		 85.71
C00012548 (S)-4-Methyl-2-(1,2,2-trimethylcyclopentyl)-1,3-benzenediol 1-acetate
HM3		 85.71
C00030728 Mansonone N
(+)-Mansonone N		 85.71
C00045794 Conitriol
(+)-Conitriol		 85.71
C00040122 Pycnanthuquinone C
(+)-Pycnanthuquinone C		 84.09
C00020355 6beta-Acetoxy-1beta-hydroxy-4,11-guaiadien-3-one 83.72
C00031093 Przewalskin 83.72
C00038481 Aposphaerin C 83.72
C00002822 Embelin 83.33
C00002995 Heritonin 83.33
C00012524 Deoxyhelicobasidin 83.33
C00030734 Mansorin II
(-)-Mansorin II		 83.33
C00036899 Chlorosesamone 83.33
C00037243 Heliannuol F
(+)-Heliannuol F		 83.33
C00037247 Heliannuol L 83.33
C00044678 Cymopol 83.33
C00045629 Algoafuran 83.33
C00049392 Nordihydrocapsiate 83.33
C00013570 Chloranthalactone C
(4aS,5R,5aS,6aR,6bS)-5-[(Acetyloxy)methyl]-4a,5,5a,6,6a,6b-hexahydro-3,6b-dimethylcycloprop[2,3]indeno[5,6-b]furan-2(4H)-one		 82.22
C00015823 Micrandrol D 82.22
C00019878 8-Geranyl-7-hydroxycoumarin 82.22
C00015155 MF-EA 705alpha 81.82
C00015156 MF-EA 705beta 81.82
C00016862 AS 183 81.82
C00031001 Pholidotol A
2,3'-Dihydroxy-5-methoxy-3,4-methylenedioxydihydrostilbene		 81.82
C00038773 Cinnamacrin A
(+)-Cinnamacrin A		 81.82
C00043411 Crassinervic acid 81.82
C00045836 Dendocarbin I
(-)-Dendocarbin I		 81.82
C00047204 Callicarpic acid B
(-)-Callicarpic acid B		 81.63
C00003314 Laurenobiolide 81.40
C00020176 8-Acetoxy-3-methoxycalamenene
(1S,3R,4R)-7-Methoxycalamenen-3-yl acetate		 81.40
C00021112 2-[4-Methyl-2-(2-methylpropoxy)phenyl]-2-[(2-methylpropoxy)methyl]-oxirane 81.40
C00044075 Alloevodione 81.40
C00002448 Alloimperatorin 80.95
C00002650 Geranylhydroquinone 80.95
C00002826 Geranylbenzoquinone 80.95
C00003026 Zinnolide 80.95
C00003158 Lacinilene C 7-methyl ether 80.95
C00011432 [3R-(3R*,5S*,6E,9S*)]-3,7,11-trimethyl-1,6,10-dodecatriene-3,5,9-triol 9-acetate 80.95
C00011619 (-)-Curcuhydroquinone
(R)-2-(1,5-Dimethyl-4-hexenyl)-5-methyl-1,4-benzenediol		 80.95
C00011665 Sydnic acid
Sydonic acid		 80.95
C00011666 Hydroxysydonic acid 80.95
C00011679 [S-[R*,S*-(E)]]-6-[6-(Acetyloxy)-1,5-dimethyl-4-hexenyl]-3-methyl-2-cyclohexen-1-one 80.95
C00011682 3-[(Acetyloxy)methyl]-6-(1,5-dimethyl-4-hexenyl)-2-cyclohexen-1-one 80.95
C00011685 Perezone
(R)-2-(1,5-Dimethyl-4-hexenyl)-3-hydroxy-5-methyl-2,5-cyclohexadiene-1,4-dione		 80.95
C00011687 (-)-Curcuquinone
(S)-(-)-Curcuquinone
Curcuquinone
Deoxyperezone
Desoxyperezone		 80.95
C00012684 (-)-Benghalensin B
Benghalensin B
[5aS-(5aalpha,8beta,8aalpha)]-2,5a,6,7,8,8a-Hexahydro-8,8a-dihydroxy-5a-methyl-8-(1-methylethyl)-3H-naphtho[1,8-bc]furan-3-one		 80.95
C00016759 Fenoksan
Fenoxan
Fenozan
Fenozan acid
Irganox 1310
Phenosan
Phenoxan
Phenozan		 80.95
C00020075 5-Hydroxy-8-methoxycalamenene 80.95
C00020079 3-Hydroxy-14-calamenoic acid 80.95
C00020080 3-Methoxy-14-calamenoic acid 80.95
C00020111 3-Acetoxy-4,7(11)-muuroladien-8-one 80.95
C00020126 Mansonone M
Mansonone H methyl ether		 80.95
C00020158 Ryomenin 80.95
C00020175 3-Methoxy-8-calamenenol
(1S,3R,4R)-7-Methoxycalamenen-3-ol		 80.95
C00020179 3-Methoxy-8-calamenenone
(1S,4R)-7-Methoxycalamenen-3-one		 80.95
C00030729 Mansonone O
(-)-Mansonone O		 80.95
C00030974 Peucenin-7-methyl ether 80.95
C00034283 Stemanthraquinone 80.95
C00034460 Boropinol C 80.95
C00037239 Heliannuol A
(-)-Heliannuol A		 80.95
C00037240 Heliannuol C
(-)-Heliannuol C		 80.95
C00037241 Heliannuol D
(+)-Heliannuol D		 80.95
C00037244 Heliannuol G
(-)-Heliannuol G		 80.95
C00037246 Heliannuol I
(-)-Heliannuol I		 80.95
C00037249 Helibisabonol A
(-)-Helibisabonol A		 80.95
C00037250 Helibisabonol B 80.95
C00039357 Heliannuol J
(+)-Heliannuol J		 80.95
C00042733 Methoxyconidiol
(+)-Methoxyconidiol		 80.95
C00043203 4-Hydroxy-(3',7'-dimethyl-1'-oxo-octa-2'-E-6'-dienyl)benzoic acid 80.95
C00045889 Enokipodin C
(-)-Enokipodin C		 80.95
C00046123 Mansonone Q
(+)-Mansonone Q		 80.95
C00046168 Montipyridine 80.95
C00048362 Corynesidone A 80.95
C00048403 Heitziamide B 80.95
C00049723 Heliannuol K
(+)-Heliannuol K		 80.95
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