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


and

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




INPUT WORD = C00022288 , 50% or more
[ Metabolite Name : Ballonigrinone ]
Number of matched data : 84

CID Metabolite Name Structural formula Metabolite Activity Similarity (%)
C00022289 18-Hydroxyballonigrine 98.11
C00022287 Ballonigrin
Ballonigrine		 96.23
C00022391 Ballotinone
7-Oxomarrubiin		 96.23
C00048283 3alpha-Hydroxymarrubiin
(+)-3alpha-Hydroxymarrubiin		 96.23
C00022266 Peregrinin 94.34
C00022392 Leonotin 92.45
C00022394 Ballotenol 92.45
C00030660 Limbatenolide D 92.45
C00041663 Marrulibanoside 92.45
C00022429 Rupestralic acid 90.91
C00023348 Preperegrinin 90.74
C00048251 13S-Preperegrinine
(+)-13S-Preperegrinine		 90.74
C00003452 Marrubiin 90.57
C00023367 Isodihydroclutiolide 90.57
C00030661 Limbatenolide E
(+)-Limbatenolide E		 90.57
C00035425 Velutine C 90.57
C00022217 Leonotinin 88.89
C00022315 5-Episophocarpine 88.89
C00043601 Hypopurin B
(+)-Hypopurin B		 88.89
C00012904 [4aR-[4aalpha,5alpha,6alpha(2S*,3R*),8abeta]]-4,4a,5,6,7,8,8a,9-Octahydro-5-hydroxy-3,5,8a-trimethylnaphtho[2,3-b]furan-6-yl ester 2,3-dimethyloxiranecarboxylic acid 88.68
C00022271 7-Hydroxylambertianic acid 88.68
C00022294 Marrubenol 88.68
C00022383 15,16-Epoxy-20-oxo-8(17),13(16),14-labdatrien-19-oic acid methyl ester 88.68
C00022528 3alpha,5alpha-Dihydroxychiliolide 88.68
C00023347 (13S)-Premarrubiin 88.68
C00023350 Sciadin 88.68
C00023366 Dihydroclutiolide 88.68
C00031960 Leoheterin
(+)-Leoheterin		 88.68
C00036099 Cornutin E
(-)-Cornutin E		 88.68
C00038325 7R-Hydroxy-14-deoxyandrographolide 88.68
C00038326 7S-Hydroxy-14-deoxyandrographolide 88.68
C00041603 isoandrographolide 88.68
C00043602 Hypopurin C
(+)-Hypopurin C		 88.68
C00022433 13-Hydroxyballonigrinolide 87.27
C00022274 Calyenone 87.04
C00022317 18-Oxoaustrochaparol acetate 87.04
C00022534 3alpha-Hydroxy-5beta,10beta-epoxychiliolide 87.04
C00033162 Marrubinone B
(+)-Marrubinone B:Polyodonin		 87.04
C00036106 Cornutin L
(+)-Cornutin L		 87.04
C00046593 Labda-8(17),11,13-trien-15(16)-olide
(+)-Labda-8(17),11,13-trien-15(16)-olide		 87.04
C00046796 CID is old! 87.04
C00000286 Sellowin C 86.79
C00003476 (13R)-Premarrubiin 86.79
C00011808 2,3,3a,4,5,8,9,11a-Octahydro-5,9-dihydroxy-6,10-dimethyl-3-methylene-2-oxocyclodeca[b]furan-4-yl ester 2-methyl-butanoic acid 86.79
C00022197 Jhanic acid 86.79
C00022232 14-Deoxyandrographolide 86.79
C00022240 14-Deoxy-11,14-didehydroandrographolide 86.79
C00022255 14-Deoxy-11-oxoandrographolide 86.79
C00022272 17-Hydroxyisolambertianic acid 86.79
C00022312 (-)-Isopsiadiol 86.79
C00022314 (+)-Isomatrine
Isomatrine		 86.79
C00022320 Polyalthic acid 86.79
C00022321 Lambertianic acid 86.79
C00022329 Austrochaparol acetate 86.79
C00022532 Secochiliolide lactone 86.79
C00022535 Chiliomarin 86.79
C00022769 ent-8(17),13-Labdadien-15,16-olid-18-oic acid 86.79
C00022770 Pinusolidic acid 86.79
C00022771 Pinusolide 86.79
C00023344 Nivenolide 86.79
C00023363 Wightionolide 86.79
C00023365 Clutiolide 86.79
C00023370 Galeopsitrione 86.79
C00023393 ent-15,16-Epoxy-2beta,3beta,19-trihydroxy-18-nor-8(17),13(16),14-labdatriene-12-dione 86.79
C00023394 ent-15,16-Epoxy-2beta,3beta,19-trihydroxy-18-nor-13(16),14-labdadiene-7,12-dione 86.79
C00023396 Haplomitrenolide A 86.79
C00023397 Haplomitrenolide B 86.79
C00023461 Gutierrezial 86.79
C00023525 Teumassilin 86.79
C00023527 Junceic acid epoxide 86.79
C00031965 Leoheteronin E
(-)-Leoheteronin E
Isoleopersin G		 86.79
C00032062 Neocaesalpin H
Dipteryxic acid		 86.79
C00032524 Xindongnin I
(-)-Xindongnin I		 86.79
C00032525 Xindongnin J 86.79
C00035288 Deacetylfruticolone
(+)-Deacetylfruticolone
(+)-Deacetylfruticolone		 86.79
C00036103 Cornutin I
(+)-Cornutin I		 86.79
C00040318 Sinularolide B
(-)-Sinularolide B		 86.79
C00041244 14-Deoxy-17-hydroxyandrographolide
(-)-14-Deoxy-17-hydroxyandrographolide		 86.79
C00043600 Hypopurin A
(+)-Hypopurin A		 86.79
C00043603 Hypopurin D
(+)-Hypopurin D		 86.79
C00045870 Drypetenone C
(-)-Drypetenone C		 86.79
C00050246 Teumassilenin A
(+)-Teumassilenin A		 86.79
C00050247 Teumassilenin B
(+)-Teumassilenin B		 86.79
C00050379 Leopersin L
(-)-Leopersin L		 86.79
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