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


and

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




INPUT WORD = C00012794 , 50% or more
[ Metabolite Name : Ivanuol , [1R-(1alpha,2beta,4abeta,5beta,6beta,8aalpha)]-Decahydro-8a-methyl-4-methylene-6-(1-methylethyl)-1,2,5-naphthalenetriol 2-acetate 5-benzoate ]
Number of matched data : 63

CID Metabolite Name Structural formula Metabolite Activity Similarity (%)
C00040565 Triptogelin G-2 93.44
C00012475 [1R-(1R*,2S*,6S*,9S*)]-4,11,11-Trimethyl-8-methylenebicyclo[7.2.0]undec-4-ene-2,6-diol 6-acetate 2-benzoate 91.67
C00012706 [1R-(1alpha,4alpha,4aalpha,5alpha,6alpha,8abeta)]-Decahydro-4,8a-dimethyl-6-(1-methylethyl)-1,4-epoxynaphthalen-5-yl ester 4-methoxybenzoic acid 91.67
C00012795 [1R-(1alpha,2beta,4abeta,5beta,6beta,8aalpha)]-Decahydro-8a-methyl-4-methylene-6-(1-methylethyl)-1,2,5-naphthalenetriol 1,2-diacetate 5-benzoate 90.91
C00012768 Rupestrol cinnamate 90.32
C00024034 Scoparic Acid B 90.32
C00012476 6,10,10-Trimethylspiro[bicyclo[7.2.0]undec-5-ene-2,2'-oxirane]-4,8-diol 4-acetate 8-benzoate 90.16
C00020368 Tenuferinin 90.16
C00012705 [1R-[1alpha,4alpha,4aalpha,5alpha(E),6alpha,8abeta]]-Decahydro-4,8a-dimethyl-6-(1-methylethyl)-1,4-epoxynaphthalen-5-yl ester 3-phenyl-2-propenoic acid 90.00
C00012824 [1R-[1alpha(E),2alpha,4abeta,5beta,7alpha]]-1,2,3,4,4a,5,6,7-Octahydro-7-hydroperoxy-5-hydroxy-4a,8-dimethyl-2-(1-methylethyl)-1-naphthalenyl ester 3-phenyl-2-propenoic acid 90.00
C00012826 [1R-[1alpha(E),2alpha,4abeta,5beta,8alpha,8aalpha]]- 1,2,3,4,4a,5,8,8a-Octahydro-8-hydroperoxy-5-hydroxy-4a,8-dimethyl-2-(1-methylethyl)-1-naphthalenyl ester 3-phenyl-2-propenoic acid 90.00
C00020367 Tenuferin 88.52
C00012452 Juniferinin
Juniperinin		 88.33
C00020366 Tenuferidin 88.33
C00021233 Guayulin D 88.33
C00021962 Vernoeggersic acid 88.33
C00043219 6-epi-beta-Verbesinol coumarate 88.33
C00021413 2,3-Epoxyjaeschkeanadiol 5alpha-vanillate 86.89
C00021765 Dunnianin 86.89
C00031916 Ixerochinolide
(-)-Ixerochinolide		 86.89
C00036772 Assafoetidnol A
(-)-Assafoetidnol A		 86.89
C00012072 Rubaferinin 86.67
C00012776 [1R-(1alpha,2alpha,4aalpha,5alpha,8abeta)]-1,2,3,4,4a,5,6,8a-Octahydro-5-hydroxy-4a,8-dimethyl-2-(1-methylethyl)-1-naphthalenyl ester 3-phenyl-2-propenoic acid 86.67
C00012825 [1R-[1alpha(E),2alpha,4abeta,5beta]]-1,2,3,4,4a,5,6,7-Octahydro-5-hydroxy-4a,8-dimethyl-2-(1-methylethyl)-7-oxo-1-naphthalenyl ester 3-phenyl-2-propenoic acid 86.67
C00020340 Cinnamoylechinaxathol 86.67
C00021411 Fercomin 86.67
C00034906 Tokinolide B 86.67
C00037403 Kuhistanicaol H
(+)-Kuhistanicaol H		 86.67
C00013186 (-)-Malkangunin
Malkangunin
Malkanguniol 4-acetate 5-benzoate
[3S-(3alpha,4beta,5beta,5aalpha,6alpha,9alpha,9aalpha)]-Octahydro-5a-(hydroxymethyl)-2,2,9-trimethyl-2H-3,9a-methano-1-benzoxepin-4,5,6-triol 4-acetate 5-benzoate		 86.15
C00024035 Scoparic Acid C 85.94
C00030160 Dulcinol
Scopadulciol		 85.94
C00031322 Scopadulcic acid C 85.94
C00045063 Scopanolal
(-)-Scopanolal		 85.94
C00011552 Collybolide 85.48
C00015989 (-)-Bisabosqual C
Bisabosqual C		 85.25
C00016378 CJ 13015 85.25
C00019978 Nassauvirevolutin C 85.25
C00019979 2'-epi-Nassauvirevolutin C 85.25
C00034345 Youngiajaponicol A
(+)-Youngiajaponicol A		 85.25
C00037111 Episamarcandin 85.25
C00037782 Samarcandin 85.25
C00041110 Samarcandone 85.25
C00047861 epi-Conferdione
(+)-epi-Conferdione		 85.25
C00047967 Ligupersin A 85.25
C00050323 7-Deoxy-7-oxodunnianin
(-)-7-Deoxy-7-oxodunnianin		 85.25
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
C00012074 Cinnamoylechinadiol 85.00
C00012080 Cyclachaenin 85.00
C00013199 Mortonin
Mortonin A
(5alpha,5aalpha,6alpha,9beta,9aalpha)-6-(Benzoyloxy)-5,5a,6,7,8,9-hexahydro-9-hydroxy-2,2,5a,9-tetramethyl-2H-5,9a-(epoxymethano)-1-benzoxepin-10-one		 85.00
C00018332 Dihydromevinolin 85.00
C00021232 Guayulin C 85.00
C00021392 Carotdiol veratrate 85.00
C00021403 Lancerodiol vanillate 85.00
C00021412 6-(p-Hydroxybenzoyl)epoxyjaeschkeanadiol
Jaeskeanin
Ferutinin alpha-epoxide		 85.00
C00027832 Alopecurine
2alpha-Benzoyloxylycopecurine		 85.00
C00034767 4,5-Dehydrodiligustilide 85.00
C00036453 2,3-Epoxy-jaeschkeanadiol p-methoxybenzoate 85.00
C00036567 4beta,8alpha-Dihydroxy-6alpha-vanilloyloxydauc-9-ene 85.00
C00037399 Kuhistanicaol D
(+)-Kuhistanicaol D		 85.00
C00037401 Kuhistanicaol F
(+)-Kuhistanicaol F		 85.00
C00041348 Ansaspirolide 85.00
C00042474 dinor-Spiculoic acid A
(+)-dinor-Spiculoic acid A		 85.00
C00049459 homo-Plakotenin
(+)-homo-Plakotenin
Homoplakotenin		 85.00
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