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


and

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





INPUT WORD = C00016987 , 50% or more
[ Metabolite Name : (+)-Nootkatone , Nootkanone , Nootkatone , 4betaH,5alpha-Eremophila-1(10),11-dien-2-one ]
Number of matched data : 82

CID Metabolite Name Structural formula Metabolite Activity Similarity (%)
C00003198 alpha-Vetivone 96.97
C00017017 4-Hydroxy-2-oxovalencene
[4S-(4alpha,4abeta,6alpha)]-4,4a,5,6,7,8-Hexahydro-4-hydroxy-4,4a-dimethyl-6-(1-methylethyl)-2(3H)-naphthalenone
94.29
C00003191 Solavetivone 93.94
C00016989 Eremophilone
Eremophila-1(10),11-dien-9-one
93.94
C00017515 (-)-Valeranone
(-)-Jatamansone
93.94
C00013231 (+)-Oxyglutinosone
Oxyglutinosone
[3R-(3alpha,4beta,4abeta,6alpha)]-4,4a,5,6,7,8-Hexahydro-3,4a-dihydroxy-4-methyl-6-(1-methylethenyl)-2(3H)-naphthalenone
91.43
C00046261 Oxyphyllol B
(+)-Oxyphyllol B
91.43
C00017469 1(10)-Aristolen-12-al
[1S-(1alpha,1aalpha,7alpha,7aalpha,7balpha)]-1a,2,3,5,6,7,7a,7b-octahydro-1,7,7a-trimethyl-1H-cyclopropa[a]naphthalene-1-carboxaldehyde
91.18
C00017474 Aristolone 91.18
C00021725 beta-Biotol 91.18
C00041641 Mairetin
(-)-Mairetin
91.18
C00046939 Suberosanone
(-)-Suberosanone
91.18
C00003135 Glutinosone 90.91
C00003199 beta-Vetivone 90.91
C00012732 (+)-Occidentalol
Occidentalol
10alpha-Eudesma-1,3-dien-11-ol
[2R-(2alpha,4abeta,8abeta)]-1,2,3,4,4a,8a-hexahydro-alpha,alpha,4a,8-tetramethyl-2-naphthalenemethanol
90.91
C00012748 Isocyperol
(-)-Eudesma-4(14),11-dien-3alpha-ol
[2R-(2alpha,4abeta,7beta,8aalpha)]-Decahydro-4a-methyl-1-methylene-7-(1-methylethenyl)-2-naphthalenol
90.91
C00012806 Acolamone
[2S-(2alpha,4aalpha,8abeta)]-Octahydro-4a-methyl-8-methylene-2-(1-methylethyl)-1(2H)-naphthalenone
90.91
C00016990 Eremophila-1,11-dien-9-one 90.91
C00016991 Alloeremophilone
3-Desoxyneopetasol
Eremophila-9,11-dien-8-one
Neopetasan
90.91
C00016998 (+)-Valencenol
Valencenol
90.91
C00016999 (+)-Valerianol
Kusenol
Kusunol
Valerianol
90.91
C00017000 Eremoligenol
Eremophil-1(10)-en-11-ol
90.91
C00017001 (-)-Jinkoheremol
Jinkoheremol
90.91
C00017003 Fukinone
(+)-Eremophil-7(11)-en-8-one
90.91
C00017005 Eremofukinone 90.91
C00020251 10(14)-Oplopen-3-one 90.91
C00020409 Nardol 90.91
C00020410 Pogostol 90.91
C00020739 [3aR-(1E,3aalpha,7beta,7abeta)]-1-Ethylideneoctahydro-4-methylene-7-(1-methylethyl)-2H-inden-2-one 90.91
C00021717 Spirojatamol 90.91
C00030525 Isofaurinone 90.91
C00033916 Hinesol
(-)-Hinesol
90.91
C00038051 (-)-Chiloscyphone 90.91
C00048308 Agarospirol
(-)-Agarospirol
90.91
C00017292 Tessaric acid
[2R-(2alpha,8alpha,8aalpha)]-1,2,3,4,6,7,8,8a-Octahydro-8,8a-dimethyl-a-methylene-6-oxo-2-naphthaleneacetic acid
89.19
C00017293 11S,13-Dihydrotessaric acid
[2R-[2alpha(S*),8alpha,8aalpha]]-1,2,3,4,6,7,8,8a-Octahydro-alpha,8,8a-trimethyl-6-oxo-2-naphthaleneacetic acid
89.19
C00017468 Debilon
Debilone
88.89
C00003163 Lubimin 88.57
C00017475 1,10-Epoxy-aristolane
[1S-(1alpha,3abeta,4aR*,6aalpha,7aalpha,7balpha)]-Decahydro-1,7,7,7b-tetramethyl-cyclopropa[5,6]naphth[1,8a-b]oxirene
88.57
C00021248 (-)-Myliol
Myliol
88.57
C00023915 Dihydroprehelminthosporol 88.57
C00042890 Pulioplopanone A
(-)-Pulioplopanone A
88.57
C00043348 Canusesnol I
(+)-Canusesnol I
88.57
C00043675 Lubiminol
(+)-Lubiminol
88.57
C00046262 Oxyphyllol C
(+)-Oxyphyllol C
88.57
C00000213 (+)-Vitrenal 88.24
C00003112 (+)-Cedrol
Cedrol
alpha-Cedrol
88.24
C00003123 Cycloeudesmol 88.24
C00012015 Periplocadiol
(1alpha,2alpha,4alpha,6alpha)-(-)-1-Ethenyl-2-hydroxy-4,6-bis(1-methylethenyl)-cyclohexanemethanol
88.24
C00012483 (-)-beta-Caryophyllene epoxide
beta-Caryophyllene oxide
(-)-Epoxydihydrocaryophyllene
beta-Caryophyllene epoxide
4beta,5alpha-Epoxycaryophyllene
6,7-Epoxy-3(15)-caryophyllene
Caryophyllene 4beta,5alpha-epoxide
trans-Caryophyllene oxide
Betula pubescens
Caryophyllene oxide
88.24
C00012490 5-Hydroxy-5,6-secocaryophyllen-6-one 88.24
C00013573 Isocycloeudesmol
Hexahydro-alpha,alpha,3a,7-tetramethyl-1H-cycloprop[c]indene-1a(2H)-methanol
88.24
C00016959 (+)-Maaliol
Maaliol
Maali alcohol
88.24
C00016966 (-)-Maalioxide
Ventricosin B
88.24
C00020361 Liguloxide 88.24
C00020365 Guaioxide 88.24
C00021212 Palustrol 88.24
C00021238 Hydroxyalloaromadendrene 88.24
C00021272 Cubebol
Cubeb camphor
(-)-Cubebol
88.24
C00021287 Patchoulenone
8-Oxocyperene
88.24
C00021821 5-Silphiperfolanone 88.24
C00021867 Copaenol 88.24
C00021878 Rotundenol 88.24
C00021890 3(15)-Gymnomitren-12-ol 88.24
C00021891 3(12)-Gymnomitren-15-al 88.24
C00021984 Lemnalol 88.24
C00021985 Myltaylenol
(-)-Myltaylenol
88.24
C00029917 Cedr-8(15)-en-9-ol 88.24
C00031765 (-)-ent-Spathulenol
beta-Spathulenol
ent-Spathulenol
(-)-Spathulenol
88.24
C00031766 epi-Cubebol
Epicubebol
4-epi-Cubebol
88.24
C00033674 beta-Copaen-4-alpha-ol 88.24
C00035302 ent-4-epi-Maaliol 88.24
C00036326 (1R,10R)-Aromadendran-9-one 88.24
C00036333 (1S,10S)-9alpha-Hydroxy-allo-aromadendrane 88.24
C00036334 (1S,10S)-allo-Aromadendran-9-one 88.24
C00037527 CID is old! 88.24
C00038050 (-)-Aromadendran-5-ol 88.24
C00038056 (-)-Longiborneol 88.24
C00040069 Presilphiperfolan-1-ol
(-)-Presilphiperfolan-1-ol
88.24
C00041900 Suberosenone
(+)-Suberosenone
88.24
C00046150 Millecrone B 88.24
C00050146 Longiborneol 88.24
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