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


and

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




INPUT WORD = C00013204 , 50% or more
[ Metabolite Name : Secocrispiolide , (S)-4-[(2,6-Dimethylphenyl)methyl]tetrahydro-3-methylene-2H-pyran-2-one ]
Number of matched data : 67

CID Metabolite Name Structural formula Metabolite Activity Similarity (%)
C00020910 Stevisamolide 91.67
C00021503 Pterosin J 91.43
C00012546 Herbertenolide
(3aS-trans)-2,3,3a,9b-Tetrahydro-3a,8,9b-trimethylcyclopenta[c][1]benzopyran-4(1H)-one		 88.89
C00020710 Tannunolide B 88.89
C00020711 Tannunolide A 88.89
C00020906 Helisplendiolide 88.89
C00013243 Rishitinol
(2R,3S)-rel-(+)-1,2,3,4-Tetrahydro-3-hydroxy-alpha,alpha,5,8-tetramethyl-2-naphthalenemethanol		 88.57
C00036094 Cinnamyl isovalerate 88.57
C00036367 1,15-Dihydroxyherbertene 88.57
C00013239 Emmotin F
(2R-trans)-3,4-Dihydro-2-hydroxy-3-(1-hydroxy-1-methylethyl)-5,8-dimethyl-1(2H)-naphthalenone		 86.49
C00020428 Parishin B 86.49
C00013036 Gazaniolide
[3aS-(3aalpha,5abeta,9aalpha,9bbeta)]-3a,4,5,5a,9a,9b-Hexahydro-5a,9-dimethyl-3-methylenenaphtho[1,2-b]furan-2(3H)-one		 86.11
C00020909 Geigeriafulvenolide 86.11
C00032150 Sinodielide A 86.11
C00012378 Cauleslactone 85.71
C00012379 [3R-(3R*,3aR*,5E,9E,11aS*)]-3a,4,7,8,11,11a-Hexahydro-3,6,10-trimethylcyclodeca[b]furan-2(3H)-one 85.71
C00012380 Inunolide 85.71
C00012381 Dihydroinunolide
[3S-(3R*,3aS*,5E,9E,11aS*)]-3a,4,7,8,11,11a-hexahydro-3,6,10-trimethylcyclodeca[b]furan-2(3H)-one		 85.71
C00012724 alpha-Costic acid
Eudesma-3,11(13)-dien-12-oic acid
[2R-(2alpha,4aalpha,8abeta)]-1,2,3,4,4a,5,6,8a-Octahydro-4a,8-dimethyl-alpha-methylene-2-naphthaleneacetic acid		 85.71
C00012845 1-keto-alpha-Cyperone 85.71
C00013242 Occidol
(R)-1,2,3,4-Tetrahydro-a,a,5,8-tetramethyl-2-naphthalenemethanol		 85.71
C00017521 Arteannuic acid
Artemisic acid
Artemisinic acid
Artemisininic acid
Qing Hau acid		 85.71
C00021431 Perforenone A 85.71
C00037175 Germacrene A acid
Germacra-1(10),4,11(13)-trien-12-oic acid		 85.71
C00042680 Laur-11-en-1,10-diol
(-)-Laur-11-en-1,10-diol		 85.71
C00003364 Santonin
Semenen
(-)-alpha-Santonin
(-)-Santonin
a-Santonin
[3S-(3alpha,3aalpha,5abeta,9bbeta)]-3a,5,5a,9b-Tetrahydro-3,5a,9-trimethylnaphtho[1,2-b]furan-2,8(3H,4H)-dione		 84.21
C00003365 beta-Santonin
[3R-(3alpha,3abeta,5aalpha,9balpha)]-3a,5,5a,9b-Tetrahydro-3,5a,9-trimethylnaphtho[1,2-b]furan-2,8(3H,4H)-dione		 84.21
C00012942 (-)-Yomogin
[3aR-(3aalpha,8abeta,9aalpha)]-3a,8a,9,9a-Tetrahydro-5,8a-dimethyl-3-methylenenaphtho[2,3-b]furan-2,6(3H,4H)-dione		 84.21
C00020830 11,13-Dehydroleucodin
Dehydroleucodin
Lidbeckialactone		 84.21
C00020832 Isodehydroleucodin 84.21
C00020183 Methyl 3,4-dihydro-5-methyl-8-isopropyl-2-naphthalenecarboxylate 83.78
C00012879 (+)-Isoalloalantolactone
Isoalloalantolactone
[3aR-(3aalpha,4aalpha,8abeta,9aalpha)]-3a,4,4a,7,8,8a,9,9a-Octahydro-5,8a-dimethyl-3-methylenenaphtho[2,3-b]furan-2(3H)-one		 83.33
C00012880 Diplophyllolide A
[3aS-(3aalpha,4aalpha,8abeta,9aalpha)]-3a,4,4a,7,8,8a,9,9a-Octahydro-5,8a-dimethyl-3-methylenenaphtho[2,3-b]furan-2(3H)-one		 83.33
C00013030 Feropodin
[3S-(3alpha,3aalpha,5abeta,9aalpha,9bbeta)]-3a,4,5,5a,9a,9b-hexahydro-3,5a,9-trimethylnaphtho[1,2-b]furan-2(3H)-one		 83.33
C00020713 Kauniolide 83.33
C00020905 [3R-(3alpha,3aalpha,4aalpha,9aalpha)]-3a,4,4a,7,9,9a-Hexahydro-3,5,8-trimethyl-azuleno[6,5-b]furan-2(3H)-one 83.33
C00021021 11beta,13-Dihydro-desoxo-achalensolide 83.33
C00021419 Hercynolactone
Fastigiolide		 83.33
C00023717 Pyriculariol 83.33
C00037457 Macaridine 83.33
C00003240 Costunolide 82.86
C00003292 Glechomanolide 82.86
C00011901 ar-Pseudotsugonal
(R)-4-(1,5-Dimethyl-3-oxohexyl)-benzaldehyde		 82.86
C00012168 (+)-Dihydrocostunolide
11betaH,13-Dihydrocostunolide
Dihydrocostunolide		 82.86
C00012577 (1R-cis)-2-(1,2-Dimethyl-3-methylenecyclopentyl)-5-methylphenol
7-Hydroxylaurene
Debromoallolaurinterol		 82.86
C00012726 (+/-)-Isocostic acid
Isocostic acid
cis-1,2,3,4,4a,5,6,7-Octahydro-4a,8-dimethyl-alpha-methylene-2-naphthaleneacetic acid		 82.86
C00012760 (+)-12-Hydroxy-alpha-cyperone
(4aS-cis)-4,4a,5,6,7,8-Hexahydro-7-[1-(hydroxymethyl)ethenyl]-1,4a-dimethyl-2(3H)-naphthalenone		 82.86
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		 82.86
C00016097 YUA 001 82.86
C00016153 FO 2407
Phenopyrrozin		 82.86
C00017007 (+)-Isopetasol
Isopetasol
3alpha-Hydroxy-eremophila-7(11),9-dien-8-one		 82.86
C00020390 Aciphyllic acid 82.86
C00021705 Germacrene-D-lactone 82.86
C00021927 11-Hydroxyjasionone 82.86
C00030130 Dihydroartemisinic acid
(-)-Dihydroartemisinic acid		 82.86
C00033146 Madolin K
(+)-Madolin K		 82.86
C00039131 epi-Isocostunolide
(-)-epi-Isocostunolide		 82.86
C00041430 Chamazulene carboxylic acid 82.86
C00042167 7,10-Epoxy-ar-bisabol-11-ol 82.86
C00042238 ar-Bisabol-9-en-7,11-diol
(+)-ar-Bisabol-9-en-7,11-diol		 82.86
C00042681 Laur-11-en-10-ol
(-)-Laur-11-en-10-ol		 82.86
C00045716 Cananodine 82.86
C00045857 Dihydromadolin K
(+)-Dihydromadolin K		 82.86
C00046403 Sesquichamaenol 82.86
C00047163 Ailanthoidiol 82.86
C00047658 2-Keto-5-hydroxyguai-3,11-diene
(+)-2-Keto-5-hydroxyguai-3,11-diene		 82.86
C00049138 Costunolact-12beta-ol 82.86
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