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


and

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




INPUT WORD = C00020326 , 50% or more
[ Metabolite Name : Purpuride ]
Number of matched data : 61

CID Metabolite Name Structural formula Metabolite Activity Similarity (%)
C00017343 [4aS-(4aalpha,5alpha,6beta,7alpha,8abeta)]- 6-(Acetyloxy)-4,4a,5,6,7,8,8a,9-octahydro-3,4a,5-trimethylnaphtho[2,3-b]furan-7-yl ester 3-methyl-2-butenoic acid 86.21
C00022259 Calyone 86.21
C00022270 ent-3beta-Acetoxy-15,16-epoxy-8(17),13(16),14-labdatrien-18-oic acid 86.21
C00022385 Leosibirin 86.21
C00032469 Uzarigenin 86.21
C00030013 Coroglaucigenin 85.00
C00047254 Isoscoparin F
(+)-Isoscoparin F		 84.75
C00012702 Pluchecinin 84.48
C00012907 [4S-[4alpha,4abeta,5beta,6beta(2R*,3S*),8aalpha]]-4,4a,5,6,7,8,8a,9-Octahydro-4,5-dihydroxy-3,5,8a-trimethylnaphtho[2,3-b]furan-6-yl ester 2,3-dimethyloxiranecarboxylic acid 84.48
C00013009 Isosilerolide
[3S-[3alpha(Z),3aalpha,5aalpha,6beta,9abeta,9balpha]]-6-(Acetyloxy)-2,3,3a,4,5,5a,6,7,9a,9b-decahydro-3,5a,9-trimethyl-2-oxonaphtho[1,2-b]furan-3-yl ester 2-methyl-2-butenoic acid		 84.48
C00023438 Chettaphanin I 84.48
C00032536 Xysmalogenin
5,6-Dehydrouzarigenin		 84.48
C00049578 Proceragenin 84.48
C00049967 9,11-Dihydrogracilin A 84.48
C00032213 Strophanthidin
Strophanthidin K
Strophanthidine		 83.87
C00034434 Asparagamine A
Didehydrostemofoline		 83.61
C00040213 Sarcaglaboside A
(+)-Sarcaglaboside A		 83.61
C00022316 18-Hydroxyaustrochaparol diacetate 83.33
C00034348 Youngiajaponicoside D
(-)-Youngiajaponicoside D		 83.33
C00034538 Hierapolitanin C
(+)-Hierapolitanin C		 83.33
C00035783 15-O-Isovaleroyl-3beta-O-acetyl-2alpha-hydroxyamphoricarpolide 83.33
C00041837 Sarcaglaboside C
(+)-Sarcaglaboside C		 83.33
C00045256 Cascarillin H
(-)-Cascarillin H		 83.33
C00017378 [1aR-[1aalpha,3alpha(Z),4beta,4abeta,5beta,9aS*]]-5-(acetyloxy)-1a,2,4,4a,5,9-Hexahydro-4,4a,6-trimethyl-3H-oxireno[8,8a]naphtho[2,3-b]furan-3-yl ester 2-methyl-2-butenoic acid 83.05
C00022393 Dubiin 83.05
C00022498 Methyl ent-16-acetoxy-8beta-formyl-8-desmethyl-6,13E-labdadien-15-oate 83.05
C00023421 Methyl 15-isobutyloxy-7-labden-17-oate 83.05
C00034731 Triptriolide 83.05
C00039201 Excisusin D
(-)-Excisusin D		 83.05
C00045539 25-Hydroxy-13(24),15,17-cheilanthatrien-18,25-olide 83.05
C00023361 3-Angeloyloxy-2,18-dihydroxy-8(17),13-labdadien-15,16-olide 82.81
C00003494 Triptolide 82.76
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 82.76
C00016316 (+)-Epopromycin B
Epopromycin B
NK 04000Q		 82.76
C00017340 [4aS-[4aalpha,5alpha,6alpha(Z),7alpha,8aalpha]]-7-(Acetyloxy)-4,4a,5,6,7,8,8a,9-octahydro-3,4a,5-trimethylnaphtho[2,3-b]furan-6-yl ester 2-methyl-2-butenoic acid 82.76
C00021163 15-Desacetyltetraneurin C isobutyrate 82.76
C00022123 17-Acetoxythymifodioic acid 82.76
C00022247 Cordobic acid 18-acetate 82.76
C00022508 Methyl ent-16-acetoxy-6-oxo-7,13Z-labdadien-15-oate 82.76
C00022532 Secochiliolide lactone 82.76
C00022651 Acetoxygutierrezianolic acid methyl ester 82.76
C00023346 Precalyone 82.76
C00027666 12-epi-Dehydronapelline
(+)-12-Epidehydronapelline		 82.76
C00033858 Gelomulide A 82.76
C00033948 Hypochoeroside K
(-)-Hypochoeroside K		 82.76
C00034370 14-Acetylandrographolide 82.76
C00035074 Cryptoporic acid H 82.76
C00035514 Acetoxycrenulide
(+)-Acetoxycrenulide		 82.76
C00036883 Cascarillin D
(-)-Cascarillin D		 82.76
C00038325 7R-Hydroxy-14-deoxyandrographolide 82.76
C00038326 7S-Hydroxy-14-deoxyandrographolide 82.76
C00038629 Bractealine 82.76
C00039198 Excisusin A
(-)-Excisusin A		 82.76
C00039200 Excisusin C
(-)-Excisusin C		 82.76
C00039202 Excisusin E
(-)-Excisusin E		 82.76
C00041507 Divinorin F
(+)-Divinorin F		 82.76
C00047206 Calyciphylline O
(-)-Calyciphylline O		 82.76
C00048156 Sucutinirane A
(-)-Sucutinirane A		 82.76
C00048343 Caesalpinolide E
(-)-Caesalpinolide E		 82.76
C00048556 Tessmannic acid 1-methylbutyl ester
(+)-Tessmannic acid 1-methylbutyl ester		 82.76
C00049650 Lungshengenin D 82.76
Page Top