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


and

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




INPUT WORD = C00010317 , 50% or more
[ Metabolite Name : Dehydroelshotzione ]
Number of matched data : 105

CID Metabolite Name Structural formula Metabolite Activity Similarity (%)
C00010316 Elsholtzione 95.83
C00010336 Rosefuran
3-Methyl-2-(3-methyl-2-butenyl)furan		 91.67
C00010282 alpha-Clausenan 87.50
C00010340 3-Methyl-5-(2-methylpropyl)-2-furancarboxaldehyde 87.50
C00031537 2,6,6-Trimethyl-4-hydroxy-1-cyclohexene-1-carboxaldehyde 87.50
C00010315 Elsholtzidiol 84.62
C00035130 Methyl geranate
Methyl trans-geranate		 84.00
C00000855 beta-Nerol
Nerol
cis-Geraniol
(Z)-Geraniol		 83.33
C00010283 Cleviolide 83.33
C00010296 3,7-Dimethyl-2,6-octadiene-1,4-diol 83.33
C00010314 (+)-Eldanolide
2(3H)-Furanone		 83.33
C00010342 4-(4-Methyl-1,3-pentadienyl)-2(5H)-furanone
Scobinolide		 83.33
C00010343 2-(4-Methyl-3-pentenyl)-2-butene-1,4-diol
alpha-(Z)-Acaridiol		 83.33
C00010535 Epichrysomelidial
Dehydroiridodial		 83.33
C00010536 Dehydroiridodiol 83.33
C00010846 2-Hydroxy-p-mentha-1,4(8)-dien-3-one 83.33
C00010849 (4S-trans)-4-Hydroxy-2-methyl-5-(1-methylethyl)-2-cyclohexen-1-one 83.33
C00010850 (4S-cis)-4-Hydroxy-2-methyl-5-(1-methylethyl)-2-cyclohexen-1-one 83.33
C00010852 (S)-6-Hydroxy-3-methyl-6-(1-methylethyl)-2-cyclohexen-1-one 83.33
C00010854 8-Hydroxy-p-menth-6-en-2-one
8-Hydroxycarvotanacetone
HCA 168		 83.33
C00010915 (3S,4S,6R)-p-Menth-1-ene-3,6-diol 83.33
C00011048 Car-3-en-2-one
(-)-Car-3-en-2-one		 83.33
C00011049 Car-3-en-5-one 83.33
C00030934 p-Cymene-2,3-diol 83.33
C00043413 Crocusatin J
(+)-Crocusatin J		 80.77
C00000146 (+)-Bottrospicatol 80.00
C00003058 (+)-Rotundifolone 80.00
C00010636 Neonepetalactone 80.00
C00010820 (1alpha,4alpha,7S*)-5-methylethyl)-2,3-dioxabicyclo[2.2.2]oct-5-ene 80.00
C00010822 (1alpha,4alpha,7R*)-5-methyl-7-(1-methylethyl)-2,3-dioxabicyclo[2.2.2]oct-5-ene 80.00
C00010987 Filifolide A 80.00
C00011036 [1S-[1alpha,5alpha(7R*)]]-7-hydroxy-6,6-dimethyl-2-methylenebicyclo[3.1.1]heptan-3-one 80.00
C00011050 (+-)-Asarinol A 80.00
C00035369 Piperitenone oxide 80.00
C00036361 (Z)-Isogeranic acid 80.00
C00039253 Gallicynoic acid I
(+)-Gallicynoic acid I		 80.00
C00000487 Orsellinic acid
2,4-Dihydroxy-6-methylbenzoic acid
4,6-Dihydroxy-2-methylbenzoic acid
Orsellic acid		 79.17
C00000807 (R)-(-)-Carvone 79.17
C00000814 (-)-trans-Carveol 79.17
C00000838 3,4-Menthone lactone 79.17
C00000845 (E)-geraniol
Geraniol
trans-Geraniol		 79.17
C00001324 Tiglyl tiglate 79.17
C00003031 Chrysanthemic acid 79.17
C00003032 Chrysanthenone 79.17
C00003035 trans-Citral
(E)-Citral
(E)-alpha-Citral
Geranial		 79.17
C00003036 cis-Citral
(Z)-Citral
beta-Citral
Neral
Citral Z		 79.17
C00003042 Diosphenol
Buccocamphor		 79.17
C00003055 Piquerol A 79.17
C00003066 (+-)-Umbellulone 79.17
C00003067 (R)-(+)-Verbenone
Verbenone		 79.17
C00007485 Tetrachlorohydroquinone
2,3,5,6-Tetrachlorohydroquinone		 79.17
C00007509 Pyridoxal 79.17
C00010294 3,7-Dimethyl-1,6-octadiene-3,4-diol 79.17
C00010311 (S)-3,7-Dimethyl-6-octenoic acid
(S)-Citronellic acid		 79.17
C00010313 Egomaketone
3-Penten-1-one		 79.17
C00010318 2,3-Epoxy-2,6-dimethyl-5,7-octadien-4-ol 79.17
C00010322 6-Hydroxy-2,6-dimethyl-2,7-octadien-4-one 79.17
C00010328 Isoegomaketone 79.17
C00010344 Perillene
3-(4-Methyl-3-pentenyl)furan		 79.17
C00010345 6-Methyl-2-vinyl-5-heptene-1,2-diol 79.17
C00010351 5-(1,1-Dimethyl-2-propenyl)-3-methyl-2(4H)-furanone 79.17
C00010364 Marmelolactone A 79.17
C00010824 (R)-Linden ether
3,9-Epoxy-p-mentha-1,4(8)-diene		 79.17
C00010843 Macropone 79.17
C00010862 2,5-Dihydroxy-p-cymene
Hydrothymoquinone
Thymohydroquinone		 79.17
C00010870 Perillic acid
(+-)-Perrillic acid		 79.17
C00010876 Thymoquinone
p-Mentha-3,6-diene-2,5-dione		 79.17
C00010877 cis-(+)-p-Mentha-1(7),5-dien-2-ol 79.17
C00010878 trans-(-)-p-Mentha-1(7),5-dien-2-ol 79.17
C00010891 (S)-(+)-Carvone
(+)-(S)-carvone
D-carvone		 79.17
C00010908 3-Hydroxy-alpha,alpha,4-trimethylbenzyl alcohol 79.17
C00010916 1-Hydroxy-4-(1-methylethyl)-2-cyclohexene-1-methanol 79.17
C00010920 (1R,2R,4S)-p-Menth-5-ene-1,2-diol 79.17
C00010921 [1S-(1alpha,2alpha,5alpha)]-2-Methyl-5-(1-methylethyl)-3-cyclohexene-1,2-diol 79.17
C00010922 [1R-(1alpha,2alpha,5beta)]-2-Methyl-5-(1-methylethyl)-3-cyclohexene-1,2-diol 79.17
C00010923 [1S-(1alpha,2beta,5alpha)]-2-Methyl-5-(1-methylethyl)-3-cyclohexene-1,2-diol 79.17
C00010925 (3S,4S)-(-)-p-Menth-1-en-3-ol
trans-(-)-Piperitol		 79.17
C00010926 (3R,4R)-Piperitol
(+)-trans-Piperitol		 79.17
C00010942 (+-)-p-Menth-6-en-3-one 79.17
C00010943 (-)-Carvotanacetone 79.17
C00010944 (+)-Carvotanacetone 79.17
C00010959 (+-)-Pinol 79.17
C00010970 3-Methyl-1-(1-methylethenyl)-3-cyclohexen-1-ol 79.17
C00011054 (-)-Ubellulone
(-)-3-Thujen-2-one		 79.17
C00022009 Sobrerol 79.17
C00029478 3,4'-Dihydroxypropiophenone
4-Hydroxy-(3-hydroxypropionyl)benzene		 79.17
C00030803 Myrtenal 79.17
C00031259 Sachalol 79.17
C00032859 Crocusatin A
S-Phorenol		 79.17
C00032861 Crocusatin C
(-)-Crocusatin C		 79.17
C00033557 CID is old! 79.17
C00033837 Ethylparaben 79.17
C00034763 2-Pentylfuran
2-Amylfuran		 79.17
C00035062 Carvone 79.17
C00035509 5-Pentyl-3H-furan-2-one
5-(1-Pentyl)-3H-furan-2-one		 79.17
C00035767 trans-2-Hexenyl butyrate 79.17
C00035822 Citral
Citral (E/Z)		 79.17
C00036273 (-)-Chrysanthenone 79.17
C00036397 10-Deoxyeucommiol 79.17
C00040791 2,4-Dichloro-5-methoxy-3-methylphenol 79.17
C00043204 4-Hydroxy-3,5,5-trimethylcyclohex-2-enone 79.17
C00043206 5-(4-Pentenyl)-2-furaldehyde 79.17
C00043215 5-Pentyl-2-furaldehyde 79.17
C00044524 Annularin E 79.17
C00045543 2-Hydroxy-3,5,5-trimethylcyclohex-2-ene-1,4-dione 79.17
Page Top