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


and

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





INPUT WORD = C00022071 , 50% or more
[ Metabolite Name : Ligantrol ]
Number of matched data : 85

CID Metabolite Name Structural formula Metabolite Activity Similarity (%)
C00022051 1,15-Dihydroxy-12-oxo-2,6,13-phytatrien-19-al 90.00
C00022111 (E,E,E)-3-(Hydroxymethyl)-7,11,15-trimethyl-2,6,10-hexadecatriene-1,14,15-triol 90.00
C00038290 5-Dehydrosinularolide 90.00
C00038863 Crassumolide E
(-)-Crassumolide E
90.00
C00043097 Tuxpanolide
(-)-Tuxpanolide
90.00
C00022072 Ligantrol monoacetate 89.29
C00011738 Acanthamolide 88.24
C00011850 9-Hydroxyglabratolide 88.24
C00012261 Leucanthanolide 88.24
C00022256 (ent-3beta,8beta,13Z)-3,8-Dihydroxy-17-oxo-13-labden-15-oic acid 88.24
C00023383 Sterebin B 88.24
C00011394 11-Dimethyl-3-[(acetyloxy)methyl]-7 2,6,11-dodecatriene-1,5,10-triol 1-acetate 88.00
C00022156 Pretomexanthol 88.00
C00022434 8alphaH,ent-3beta-Hydroxy-17-oxo-13Z-labden-15oic acid 88.00
C00022435 8alphaH,ent-3eta,17-Dioxo-13Z-labden-15-oic acid 88.00
C00022436 8betaH,ent-3beta-Hydroxy-17-oxo-13Z-labden-15oic acid 88.00
C00022516 ent-8beta,17-Epoxy-3-oxo-13Z-labden-15-oic acid 88.00
C00022736 Sterebin E 88.00
C00022737 Sterebin F 88.00
C00023326 ent-13E-Labdene-2alpha,3alpha,8alpha,15-tetrol 88.00
C00023356 11,16-Dihydroxy-10beta,20-epoxy-9,10-seco-ent-labda-8E,13Z-diene 88.00
C00023364 Villenatriolone 88.00
C00039030 Dihydroflexibilide
(-)-Dihydroflexibilide
88.00
C00040313 Sinulaflexiolide I
(-)-Sinulaflexiolide I
88.00
C00040316 Sinulariolide 88.00
C00042883 Pulicanadiene C
(-)-Pulicanadiene C
88.00
C00043377 Cervicol 88.00
C00044990 Pachyclavulariolide N
(-)-Pachyclavulariolide N
88.00
C00044991 Pachyclavulariolide O
(-)-Pachyclavulariolide O
88.00
C00045080 Sterebin I 88.00
C00045081 Sterebin J
(+)-Sterebin J
88.00
C00050213 Sandensolide 88.00
C00040136 Querciformolide D
(-)-Querciformolide D
87.04
C00041244 14-Deoxy-17-hydroxyandrographolide
(-)-14-Deoxy-17-hydroxyandrographolide
86.54
C00044993 Pachyclavulariolide Q
(+)-Pachyclavulariolide Q
86.54
C00050100 Flexibolide
(+)-Flexibolide
86.54
C00011848 1(10)E-Millerenolide 86.27
C00011852 Acantholide 86.27
C00012215 Wunderolide 86.27
C00012266 Pectorolide 86.27
C00022340 8alpha,12R,13S,14S-Diepoxy-15,16-labdanediol 86.27
C00042885 Pulicanaral A
(+)-Pulicanaral A
86.27
C00045082 Sterebin K
(+)-Sterebin K
86.27
C00045083 Sterebin L 86.27
C00050234 Sinuflexolide
(-)-Sinuflexolide
86.27
C00000532 Betaenone E 86.00
C00003386 Vernoflexin
Vernoflexine
Zaluzanin C senecioate
86.00
C00011419 [R-[R*,R*-(Z,E,E,E)]]-1-(3,3-Dimethyloxiranyl)-9-hydroxy-3,7-dimethyl-3,5,7-nonatrienyl ester 2-methyl-2-butenoic acid 86.00
C00012446 Caucalol diacetate 86.00
C00012447 (-)-Neocaucalol diacetate
Neocaucalol diacetate
86.00
C00022041 Dimerobrasiolide 86.00
C00022059 (E,Z,E,Z)-2-(9-Hydroxy-4,8-dimethyl-3,7-nonadienyl)-6-methyl-2,6-octadienedioic acid 86.00
C00022060 (E,Z,Z,Z)-2-(9-Hydroxy-4,8-dimethyl-3,7-nonadienyl)-6-methyl-2,6-octadienedioic acid 86.00
C00022103 (E,Z,Z)-3,7,11-Trihydroxymethyl-15-methyl-2,6,10,14-hexadecatetraen-1-ol 86.00
C00022131 (E,E,E,E)-1,5,15-Trihydroxy-2,6,10,13-phytatetraen-12-one 86.00
C00022136 Epivittadinal 86.00
C00022153 12,19,20-Trihydroxy-14-methylenegeranylnerol 86.00
C00022155 Pretomentol 86.00
C00022221 3alpha-Hydroxyisoagatholal 86.00
C00022222 3beta-Hydroxyisoagatholal 86.00
C00022225 (E)-ent-3beta-3,18-Dihydroxy-8(17),13-labdadien-15-oic acid 86.00
C00022226 Henrilabdane A
(-)-Henrilabdane A
86.00
C00022232 14-Deoxyandrographolide 86.00
C00022240 14-Deoxy-11,14-didehydroandrographolide 86.00
C00022303 Borjatriol 86.00
C00022437 8betaH,ent-3eta,17-Dioxo-13Z-labden-15-oic acid 86.00
C00022455 6E-Geranylgeraniol-19-oic acid 86.00
C00022492 3-Oxo-18-hydroxy-8(17),13Z-labdadien-15-oic acid 86.00
C00022494 2beta,3beta-Dihydroxy-8(17),13Z-labdadien-15-oic acid 86.00
C00022576 16,17,18,20-Tetrahydroxy-10,11,14,15-tetrahydronerylgeraniol 86.00
C00022742 ent-3beta,7beta-Dihydroxy-8(17),13-labdadiene-15-oic acid 86.00
C00022743 Tectograndinol 86.00
C00023292 ent-8alphaH,13E-Labdene-15,17-dioic acid 86.00
C00023293 ent-8alphaH,13Z-Labdene-15,17-dioic acid 86.00
C00023355 11,15-Dihydroxy-10beta,20-epoxy-9,10-seco-ent-labda-8E,13E-diene 86.00
C00023358 8beta,15-Dihydroxy-ent-labda-13E-en-3-one 86.00
C00023375 9,10-Seco-8,10(20),13-labdatriene-3,11,15-triol 86.00
C00023376 11,15-Dihydroxy-8,10(20),13-labdatriene-3-one 86.00
C00039215 Flexibilide 86.00
C00041459 Crassocolide E
(+)-Crassocolide E
86.00
C00042293 Blumiolide C
(+)-Blumiolide C
86.00
C00045607 Acalycixeniolide J
(+)-Acalycixeniolide J
86.00
C00046052 Isoxeniolide A
(+)-Isoxeniolide A
86.00
C00046387 Sclerophytin A 86.00
C00047046 Florlide D
(+)-Florlide D
86.00
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