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


and

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




INPUT WORD = C00012795 , 50% or more
[ Metabolite Name : [1R-(1alpha,2beta,4abeta,5beta,6beta,8aalpha)]-Decahydro-8a-methyl-4-methylene-6-(1-methylethyl)-1,2,5-naphthalenetriol 1,2-diacetate 5-benzoate ]
Number of matched data : 51

CID Metabolite Name Structural formula Metabolite Activity Similarity (%)
C00012794 Ivanuol
[1R-(1alpha,2beta,4abeta,5beta,6beta,8aalpha)]-Decahydro-8a-methyl-4-methylene-6-(1-methylethyl)-1,2,5-naphthalenetriol 2-acetate 5-benzoate		 90.91
C00024033 Scoparic acid A 89.39
C00030526 Isofeterin 88.06
C00045041 Reissantin D 88.06
C00024034 Scoparic Acid B 87.88
C00024035 Scoparic Acid C 87.88
C00034468 Coladin 87.88
C00037663 Polyanthin
(-)-Polyanthin		 87.88
C00045063 Scopanolal
(-)-Scopanolal		 87.88
C00048067 Polyanthinin
(-)-Polyanthinin		 87.88
C00045042 Reissantin E 87.67
C00000896 Scopadulin 86.76
C00013098 Vernodesmin
[3aR-(3aalpha,4alpha,5aalpha,6beta,9beta,9aalpha,9bbeta,12R*)]-Octahydro-6,12-dihydroxy-3-methylene-2-oxo-9-phenyl-6H-5a,9-propano-2H-furo[2,3-f][2]benzopyran-4-yl ester 2-methyl-2-propenoic acid		 86.76
C00048489 Neocaesalpin Q
(+)-Neocaesalpin Q		 86.76
C00022744 Scoparinol 86.36
C00030524 iso-Dulcinol 86.36
C00040565 Triptogelin G-2 86.36
C00050368 Insulicolide A
(-)-Insulicolide A		 86.36
C00013170 [3R-(3alpha,4beta,5alpha,5aalpha,6alpha,9beta,9aalpha,10R*)]-Octahydro-2,2,5a,9-tetramethyl-, 5,10-diacetate 6-benzoate H-3,9a-methano-1-benzoxepin-4,5,6,9,10-pentol 86.30
C00013188 [3R-[3alpha,5beta,5aalpha,6alpha(E),7alpha,9alpha,9aalpha]]-5,7-bis(Acetyloxy)octahydro-2,2,5a,9-tetramethyl-2H-3,9a-methano-1-benzoxepin-6-yl ester 3-phenyl-2-propenoic acid 86.30
C00036773 Assafoetidnol B
(+)-Assafoetidnol B		 85.51
C00029527 4-epi-Scopadulcic acid B 85.29
C00042033 10-Deacetyltaxuyunnanine C
(+)-10-Deacetyltaxuyunnanine C		 85.29
C00013200 Mortonin B
(5alpha,5aalpha,6alpha,7beta,9beta,9aalpha)-7-(Acetyloxy)-6-(benzoyloxy)-5,5a,6,7,8,9-hexahydro-9-hydroxy-2,2,5a,9-tetramethyl-2H-5,9a-(epoxymethano)-1-benzoxepin-10-one		 85.07
C00020035 Ferocolicin 85.07
C00012476 6,10,10-Trimethylspiro[bicyclo[7.2.0]undec-5-ene-2,2'-oxirane]-4,8-diol 4-acetate 8-benzoate 84.85
C00012953 [3aR-[3aalpha,4alpha(E),6beta,8alpha,8aalpha,9aalpha]]-6,8-bis(Acetyloxy)-2,3,3a,4,6,7,8,8a,9,9a-decahydro-5,8a-dimethyl-3-methylene-2-oxonaphtho[2,3-b]furan-4-yl ester 2-methyl-2-butenoic acid 84.85
C00016080 (+)-Hongoquercin B
Hongoquercin B		 84.85
C00020368 Tenuferinin 84.85
C00021349 8-Coumaroyloxy-14-thapsanol 84.85
C00021383 Pallidin (sesquiterpene) 84.85
C00021748 Proustianol angelicate 84.85
C00028360 Huperserratinine 84.85
C00040185 Salicylihalamide B
(-)-Salicylihalamide B		 84.85
C00044731 Dulcidiol
(-)-Dulcidiol		 84.85
C00044732 Dulcinol
Scopadulciol		 84.85
C00045087 Strongylophorin 1
(-)-Strongylophorin 1		 84.85
C00045895 Epiplakinic acid H
(+)-Epiplakinic acid H		 84.85
C00046851 Phyllaemblic acid
(+)-Phyllaemblic acid		 84.85
C00024032 Scopadulcic Acid A 84.29
C00048490 Neocaesalpin R
(+)-Neocaesalpin R
 84.29
C00024905 CID is old! 84.06
C00037396 Kuhistanicaol A
(+)-Kuhistanicaol A		 84.06
C00013151 [3R-(3a,4b,5a,5aa,6a,9b,9aa,10R*)]-5a-[(acetyloxy)methyl]octahydro-2,2,9-trimethyl-2H-3,9a-Methano-1-benzoxepin-4,5,6,9,10-pentol 5-acetate 6-benzoate 84.00
C00000895 Scopadulcic acid B 83.82
C00035231 6-Acetylteucjaponin B 83.82
C00047956 Latilagascene F
(-)-Latilagascene F		 83.82
C00023212 [2S-[2alpha(Z),4aalpha,6alpha,8beta(S*),8abeta]]-8a-[(Acetyloxy)methyl]decahydro-6-hydroxy-8-(3-hydroxy-3-methyl-4-pentenyl)-4,4-dimethyl-7-methylene-2-naphthalenyl ester 2-methyl-2-butenoic acid 83.58
C00023524 Teucretol 83.58
C00038222 2alpha,6beta,7alpha-Triacetoxylabda-8,13E-dien-15-ol 83.58
C00047532 Oligandriortholactone
(+)-Oligandriortholactone		 83.58
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