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


and

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





INPUT WORD = C00021323 , 50% or more
[ Metabolite Name : Marsupellone ]
Number of matched data : 95

CID Metabolite Name Structural formula Metabolite Activity Similarity (%)
C00021321 4-Longipinanone 97.06
C00021322 Marsupellol 94.12
C00021325 Vulgarone B 94.12
C00041900 Suberosenone
(+)-Suberosenone
94.12
C00021320 10-Hydroxy-3-longipinen-5-one 91.67
C00003118 alpha-Copaene
Copaene
(-)-alpha-Copaene
91.18
C00003203 alpha-Ylangene 91.18
C00012756 [4aR-(4aalpha,6beta,8aalpha)]-4a,5,6,7,8,8a-Hexahydro-4,8a-dimethyl-6-(1-methylethenyl)-2(1H)-naphthalenone 91.18
C00012757 [4aS-(4aalpha,6alpha,8abeta)]-4a,5,6,7,8,8a-Hexahydro-4,8a-dimethyl-6-(1-methylethenyl)-2(1H)-naphthalenone 91.18
C00012758 [4aS-(4aalpha,6alpha,8aalpha)]-4a,5,6,7,8,8a-Hexahydro-4,8a-dimethyl-6-(1-methylethenyl)-2(1H)-naphthalenone 91.18
C00021311 alpha-Torosol 91.18
C00021834 alpha-Panasinsene
alpha-Panasinsanene
91.18
C00021865 Copadiene 91.18
C00021867 Copaenol 91.18
C00021870 Mustakone 91.18
C00021984 Lemnalol 91.18
C00029348 (Z)-alpha-trans-Bergamotol 91.18
C00029678 alpha-Maaliene 91.18
C00033674 beta-Copaen-4-alpha-ol 91.18
C00035896 Vulgarol B 91.18
C00036277 (-)-Eudesma-3,11-dien-5-ol 91.18
C00036714 alpha-Longipinene
(+)-alpha-Longipinene
91.18
C00043618 Isolemnalol
(-)-Isolemnalol
91.18
C00043946 Swartzianin B
(-)-Swartzianin B
91.18
C00047068 Oblongifolidiol
(+)-Oblongifolidiol
88.89
C00021248 (-)-Myliol
Myliol
88.57
C00021249 Dihydromylione A 88.57
C00021328 3,7-Epoxylongifolane 88.57
C00021599 4-Chloro-3,7(14)-chamigradien-9-ol 88.57
C00021897 4,5-Seco-3,5-longibornanedione 88.57
C00033700 Carissone
(+)-Carissone
88.57
C00038340 9-Deoxyelatol
(+)-9-Deoxyelatol
88.57
C00047214 Dihydroxybergamotene 88.57
C00011607 (-)-alpha-Bisabolol 88.24
C00011628 [S-[R*,S*-(E)]]-2-Methyl-6-(4-methylene-2-cyclohexen-1-yl)-2-heptenal 88.24
C00011650 Bisabolene oxide 88.24
C00011726 4(15),5E,10(14)-Germacratrien-1-one 88.24
C00011898 Dihydropseudotsugonol 88.24
C00011899 Dihydropseudotsugonal 88.24
C00012518 delta-Cuprenene
(-)-delta-Cuprenene
[R-(R*,S*)]-3-Methylene-6-(1,2,2-trimethylcyclopentyl)cyclohexene
88.24
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
88.24
C00012710 5beta,10alpha-Eudesma-3,11-diene 88.24
C00012711 [2R-(2alpha,4aalpha,8aalpha)]-1,2,3,4,4a,5,6,8a-Octahydro-4a,8-dimethyl-2-(1-methylethenyl)naphthalene 88.24
C00012748 Isocyperol
(-)-Eudesma-4(14),11-dien-3alpha-ol
[2R-(2alpha,4abeta,7beta,8aalpha)]-Decahydro-4a-methyl-1-methylene-7-(1-methylethenyl)-2-naphthalenol
88.24
C00012755 (4aR-cis)-4a,5,6,7,8,8a-Hexahydro-4,8a-dimethyl-6-(1-methylethylidene)-2(1H)-naphthalenone 88.24
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
88.24
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
88.24
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
88.24
C00012802 Isoacolamone
[2S-(2alpha,4aalpha,8abeta)]-3,4,4a,5,6,8a-Hexahydro-4a,8-dimethyl-2-(1-methylethyl)-1(2H)-naphthalenone
88.24
C00013100 Dehydrodeoxybaimuxinol
alpha-Agarofuran
88.24
C00013105 beta-Agarofuran
[3R-(3alpha,5aalpha,9aalpha)]-Octahydro-2,2,5a-trimethyl-9-methylene-2H-3,9a-methano-1-benzoxepin
88.24
C00016695 Cheimonophyllon B 88.24
C00020058 Khusinol
1beta,6alpha,7betaH-Cadina-4,10(15)-dien-2beta-ol
88.24
C00020063 1-Epibicyclosesquiphellandrene
(+)-epi-Bicyclosesquiphellandrene
88.24
C00020065 (-)-alpha-Cadinol
alpha-Cadinol
Cadin-4-en-10-ol
88.24
C00020136 Bicyclosesquiphellandrene 88.24
C00021305 Africanone 88.24
C00021761 Zizanol 88.24
C00021762 Khusenol
Tricyclovetivenol
88.24
C00021763 Zizanal 88.24
C00021862 Copaborneol 88.24
C00021863 Copacamphor 88.24
C00021868 cis-alpha-Copaene-8-ol
alpha-Copaen-8-ol
88.24
C00021869 alpha-Copaen-8-one 88.24
C00021903 trans-alpha-Bergamotene
(Z)-alpha-exo-bergamotol
(-)-exo-alpha-Bergamotene
(E)-alpha-Bergamotene
alpha-trans-Bergamotene
alpha-(E)-Bergamotene
88.24
C00021923 Isoacanthodoral 88.24
C00021960 3,4-Seco-4-longibornen-3-al 88.24
C00021966 allo-Cedrol
Allocedrol
88.24
C00021968 alpha-Caryophyllene alcohol
11-Apollanol
88.24
C00021983 Khusiol 88.24
C00022019 Vulgarone A 88.24
C00029672 (-)-alpha-Selinene
alpha-Selinene
88.24
C00029817 (-)-beta-Longipinene
beta-Longipinene
88.24
C00029970 cis-alpha-Bergamotene
alpha-cis-bergamotene
88.24
C00030189 epi-alpha-Selinene 88.24
C00033734 Cubenol 88.24
C00034419 Artemisinic aldehyde 88.24
C00034905 CID is old! 88.24
C00035184 (+)-alpha-Cadinol 88.24
C00035302 ent-4-epi-Maaliol 88.24
C00035451 1,10-Di-epi-cubenol
1,10-Diepi-cubenol
1,10-Diepicubenol
88.24
C00036276 (-)-Eudesma-2,4(15)-11-triene 88.24
C00036298 (+)-alpha-Selinene 88.24
C00037232 Gymnomitr-8(12)-en-9beta-ol
(-)-Gymnomitr-8(12)-en-9beta-ol
88.24
C00038047 (-)-7-epi-Isojunenol 88.24
C00038056 (-)-Longiborneol 88.24
C00039316 Gymnomitran-4-one 88.24
C00043049 Suberosenol A
(-)-Suberosenol A
88.24
C00044031 (+)-alpha-Copaene 88.24
C00046939 Suberosanone
(-)-Suberosanone
88.24
C00046941 Suberosenol B
(-)-Suberosenol B
88.24
C00048297 7-epi-alpha-Selinene 88.24
C00048311 alpha-Bergamotene 88.24
C00049060 1,2-Dehydro-3-oxo-beta-gurjunene
(+)-1,2-Dehydro-3-oxo-beta-gurjunene
88.24
C00050146 Longiborneol 88.24
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