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


and

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





INPUT WORD = C00011903 , 50% or more
[ Metabolite Name : (+)-Todomatuic acid ]
Number of matched data : 63

CID Metabolite Name Structural formula Metabolite Activity Similarity (%)
C00003156 Juvabione 94.74
C00011905 (+)-Isojuvabiol
Isojuvabiol
94.74
C00011906 (+)-Juvabiol
(4R,1'R,3'S)-Juvabiol
Juvabiol
94.74
C00011683 [1R-[1R*(cis),3S*]]-4-(3-Hydroxy-1,5-dimethylhexyl)-cyclohexanecarboxylic acid 94.44
C00011684 [1R-[1R*(trans),3S*]]-4-(3-Hydroxy-1,5-dimethylhexyl)-cyclohexanecarboxylic acid 94.44
C00011897 Atlantonic acid 94.44
C00011904 (+)-Epitodomatuic acid
Epitodomatuic acid
94.44
C00011902 Pseudotsugonal 91.67
C00020134 gamma-Muurolen-15-oic acid 91.67
C00011674 (R*,R*)-4-(1-Hydroxy-1,5-dimethyl-4-hexenyl)-1-cyclohexene-1-carboxylic acid methyl ester 89.47
C00012923 [3aR-(3aalpha,4aalpha,8abeta,9aalpha)]-3a,4,4a,7,8,8a,9,9a-Octahydro-5-(hydroxymethyl)-8a-methyl-3-methylenenaphtho[2,3-b]furan-2(3H)-one
15-Hydroxyisoalloalantolactone
89.47
C00048972 Epijuvabiol 89.47
C00048973 Epijuvabione
(+)-Epijuvabione
89.47
C00011491 (-)-Ngaione
cis-Ngaione
4-Methyl-1-[(2S,5R)-2,3,4,5-tetrahydro-5-methyl[2,3'-bifuran]-5-yl]-2-pentanone
89.19
C00011493 (-)-Epingaione 89.19
C00011514 (-)-Kindon ketol
Kindon ketol
89.19
C00020225 9-Oxo-12-hydroxy-10,11-dehydroageraphorone 89.19
C00035108 Ganomastenol D 89.19
C00039247 Gallicynoic acid B 89.19
C00047109 Trichocarane B
(-)-Trichocarane B
89.19
C00003113 Centarol 88.89
C00011599 [S-(R*,R*)]-alpha4-Methyl-alpha4-(4-methyl-3-pentenyl)-1-cyclohexene-1,4-dimethanol 88.89
C00011602 Yingzhaosu B 88.89
C00011649 Ptilostemonol 88.89
C00011651 (-)-alpha-Bisabolol oxide A
alpha-Bisabolol oxide
alpha-Bisabolol oxide A
Bisabolol oxide A
Bisabolol oxide I
Bisaboloxide A
88.89
C00011681 6-(1,5-Dimethyl-4-hexenyl)-3-(hydroxymethyl)-2-cyclohexen-1-one 88.89
C00011898 Dihydropseudotsugonol 88.89
C00011899 Dihydropseudotsugonal 88.89
C00011900 (+/-)-ar-Todomatuic acid
ar-Todomatuic acid
(R)-4-(1,5-Dimethyl-3-oxohexyl)benzoic acid
88.89
C00020155 Pernetic acid B 88.89
C00020184 4-Cadinene-10,14-diol 88.89
C00020388 Jatamansic acid 88.89
C00021723 alpha-Biotol 88.89
C00021759 Vetivenic acid
Zizanoic acid
88.89
C00021760 Epizizanoic acid 88.89
C00034498 Engelhardic acid 88.89
C00013197 Ivangulinic acid
[3aR-[3aalpha,5(S*),7aalpha]]-2,3,3a,4,7,7a-Hexahydro-gamma,6-dimethyl-3-methylene-2-oxo-5-benzofuranbutanoic acid
87.18
C00003126 Dehydrojuvabione 86.84
C00012895 2alpha-Hydroxy alantolactone 86.84
C00012896 2-Oxoalantolactone
[3aR-(3aalpha,5beta,8abeta,9aalpha)]-3,3a,5,6,8,8a,9,9a-Octahydro-5,8a-dimethyl-3-methylenenaphtho[2,3-b]furan-2,7-dione
86.84
C00012927 Inunal
[3aR-(3aalpha,4aalpha,8abeta,9aalpha)]-2,3,3a,4,4a,7,8,8a,9,9a-Decahydro-8a-methyl-3-methylene-2-oxonaphtho[2,3-b]furan-5-carboxaldehyde
86.84
C00021022 5-Hydroxy-11beta,13-dihydroziniolide 86.84
C00021481 2-Sterpurene-6,12,15-triol 86.84
C00040201 Salutarisolide
(-)-Salutarisolide
86.84
C00049003 Methyl atlantonate 86.84
C00003128 Dehydrongaione 86.49
C00003152 Ipomoeamarone
(+)-Ngaione
86.49
C00011385 5-(4,8-Dimethyl-2,4,6-nonatrienyl)-2,6-dioxabicyclo[3.1.0]hexan-3-one 86.49
C00011492 Dehydroipomeamarone
(2R-cis)-4-Methyl-1-(2,3,4,5-tetrahydro-5-methyl[2,3'-bifuran]-5-yl)-3-penten-2-one
86.49
C00011494 (2S-trans)-4-Methyl-1-(2,3,4,5-tetrahydro-5-methyl[2,3'-bifuran]-5-yl)-3-penten-2-one 86.49
C00011515 Brigalow ketol 86.49
C00011700 (+)-Epoxypuliglene
Epoxypuliglene
86.49
C00012833 2-Hydroxyisocostic acid 86.49
C00012852 Ilicic acid
Vachanic acid
86.49
C00020142 Pernetic acid A 86.49
C00020194 12-Hydroxy-4,11(13)-muuroladien-15-oic acid 86.49
C00020228 [1S-(1alpha,4alpha,4aalpha,8aalpha)]-1,3,4,4a,5,8a-Hexahydro-1-hydroxy-4,7-dimethyl-1-(1-methylethyl)-2,6-naphthalenedione 86.49
C00021437 15-Asteriscanoic acid 86.49
C00021752 Iso-alpha-cedren-15,14-olide 86.49
C00033795 Dysodensiol D
(+)-Dysodensiol D
86.49
C00033796 Dysodensiol E
(-)-Dysodensiol E
86.49
C00035107 Ganomastenol C 86.49
C00042891 Pulioplopanone B
(+)-Pulioplopanone B
86.49
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