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


and

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




INPUT WORD = C00043340 , 50% or more
[ Metabolite Name : Canusesnol A , (-)-Canusesnol A ]
Number of matched data : 59

CID Metabolite Name Structural formula Metabolite Activity Similarity (%)
C00003364 Santonin
Semenen
(-)-alpha-Santonin
(-)-Santonin
a-Santonin
[3S-(3alpha,3aalpha,5abeta,9bbeta)]-3a,5,5a,9b-Tetrahydro-3,5a,9-trimethylnaphtho[1,2-b]furan-2,8(3H,4H)-dione		 92.11
C00003365 beta-Santonin
[3R-(3alpha,3abeta,5aalpha,9balpha)]-3a,5,5a,9b-Tetrahydro-3,5a,9-trimethylnaphtho[1,2-b]furan-2,8(3H,4H)-dione		 92.11
C00012942 (-)-Yomogin
[3aR-(3aalpha,8abeta,9aalpha)]-3a,8a,9,9a-Tetrahydro-5,8a-dimethyl-3-methylenenaphtho[2,3-b]furan-2,6(3H,4H)-dione		 92.11
C00020180 (1S,3R,4R)-Calamenene-3,4,7-triol 91.89
C00020774 (1S,3R,4S)-Calamenene-3,4,7-triol 91.89
C00037239 Heliannuol A
(-)-Heliannuol A		 91.89
C00037241 Heliannuol D
(+)-Heliannuol D		 91.89
C00049723 Heliannuol K
(+)-Heliannuol K		 91.89
C00012684 (-)-Benghalensin B
Benghalensin B
[5aS-(5aalpha,8beta,8aalpha)]-2,5a,6,7,8,8a-Hexahydro-8,8a-dihydroxy-5a-methyl-8-(1-methylethyl)-3H-naphtho[1,8-bc]furan-3-one		 90.00
C00012944 Virginin
[3S-(3alpha,3abeta,4abeta,8aalpha,9abeta)]-3a,4a,5,8a,9,9a-Hexahydro-3,8a-dimethyl-5-methylenenaphtho[2,3-b]furan-2,6(3H,4H)-dione		 89.47
C00012048 Occidiol
Occidenol		 89.19
C00012695 (+)-alpha-Carissanol
alpha-Carissanol
[3R-(3alpha,4abeta,7beta)]-4,4a,5,6,7,8-hexahydro-3-hydroxy-7-(1-hydroxy-1-methylethyl)-1,4a-dimethyl-2(3H)-Naphthalenone		 89.19
C00012698 [4aR-(4aalpha,5alpha,6beta,8abeta)]-4a,5,6,7,8,8a-Hexahydro-5-hydroxy-6-(1-hydroxy-1-methylethyl)-4,8a-dimethyl-2(1H)-naphthalenone 89.19
C00012700 (+)-6alpha-Carissanol
6alpha-Carissanol
[4aS-(4aalpha,7alpha,8beta)]-4,4a,5,6,7,8-Hexahydro-8-hydroxy-7-(1-hydroxy-1-methylethyl)-1,4a-dimethyl-2(3H)-naphthalenone		 89.19
C00012701 (+)-6beta-Carissanol
[4aS-(4aalpha,7alpha,8alpha)]-4,4a,5,6,7,8-Hexahydro-8-hydroxy-7-(1-hydroxy-1-methylethyl)-1,4a-dimethyl-2(3H)-naphthalenone		 89.19
C00012761 1,2-Dehydro-alpha-cyperone
(+)-Eudesma-1,4,11-trien-3-one
(4aS-cis)-5,6,7,8-Tetrahydro-1,4a-dimethyl-7-(1-methylethenyl)-2(4aH)-naphthalenone		 89.19
C00012845 1-keto-alpha-Cyperone 89.19
C00012854 Aubergenone
Mangeudesmenone
[1R-(1alpha,4aalpha,7alpha,8abeta)]-4a,5,6,7,8,8a-Hexahydro-7-(1-hydroxy-1-methylethyl)-1,4a-dimethyl-2(1H)-naphthalenone		 89.19
C00020117 Mansonone A
5,6,7,8-Tetrahydro-5-isopropyl-3,8-dimethyl-1,2-naphthoquinone		 89.19
C00020185 (1S,4S)-7-Methoxycalamenen-3-one 89.19
C00020228 [1S-(1alpha,4alpha,4aalpha,8aalpha)]-1,3,4,4a,5,8a-Hexahydro-1-hydroxy-4,7-dimethyl-1-(1-methylethyl)-2,6-naphthalenedione 89.19
C00020773 (1S,4R)-7-Methoxycalamenen-4-ol 89.19
C00037012 Dehydrocarissone 89.19
C00038316 7alpha-Hydroxyisopterocarpolone 89.19
C00038809 Clypeotriol
(+)-Clypeotriol		 89.19
C00049304 Sootepdienone
(+)-Sootepdienone		 89.19
C00050285 Hydroxycolorenone 89.19
C00050295 Methoxycolorenone
(+)-Methoxycolorenone		 89.19
C00003283 Farinosin 87.50
C00030729 Mansonone O
(-)-Mansonone O		 87.18
C00037243 Heliannuol F
(+)-Heliannuol F		 87.18
C00037247 Heliannuol L 87.18
C00046123 Mansonone Q
(+)-Mansonone Q		 87.18
C00013051 Dehydrobrachylaenolide
[3aS-(3aalpha,5abeta,9aalpha,9bbeta)]-3a,5,5a,9,9a,9b-Hexahydro-5a-methyl-3,9-bis(methylene)naphtho[1,2-b]furan-2,8(3H,4H)-dione		 86.84
C00013077 Alloisosantonin
[3S-(3alpha,3aalpha,5abeta,9aalpha,9bbeta)]-3a,5,5a,9,9a,9b-hexahydro-3,5a-dimethyl-9-methylenenaphtho[1,2-b]furan-2,8(3H,4H)-dione		 86.84
C00013203 Desacetylphytuberin
Phytuberol
Deacetylphytuberin
[3aR-(3aalpha,5abeta,8beta,9alphaR*)]- 5,5a,6,7,8,9-Hexahydro-alpha,alpha,3a,5a-tetramethyl-3aH-furo[3,2-c]isobenzofuran-8-methanol		 86.84
C00020951 3-Oxo-4-guaien-12,8beta-olide 86.84
C00021277 3-Oxo-4,11(13)-ivaxallaradien-12-oic acid 86.84
C00011652 alpha-Bisabolol oxide B
(-)-alpha-Bisabolol oxide B
(-)-Bisabolol oxide B
Bisabolol oxide II		 86.49
C00012693 Heterophyllol
(4alpha,4aalpha,7alpha)-(+)-4,4a,5,6,7,8-hexahydro-4-hydroxy-7-[1-(hydroxymethyl)ethenyl]-1,4a-dimethyl-2(3H)-naphthalenone		 86.49
C00012793 Isochenopotriol
[1S-(1alpha,2beta,4abeta,7alpha)]-1,2,3,4,4a,5,6,7-Octahydro-2-(1-hydroxy-1-methylethyl)-4a,8-dimethyl-1,7-naphthalenediol		 86.49
C00012836 3-Oxocostusic acid
(2R-cis)-1,2,3,4,4a,5,6,7-Octahydro-4a,8-dimethyl-alpha-methylene-7-oxo-2-naphthaleneacetic acid		 86.49
C00012844 [2R-(2alpha,4aalpha,8abeta)]-1,2,3,4,4a,7,8,8a-Octahydro-4a-methyl-alpha,8-bis(methylene)-7-oxo-2-naphthaleneacetic acid 86.49
C00013036 Gazaniolide
[3aS-(3aalpha,5abeta,9aalpha,9bbeta)]-3a,4,5,5a,9a,9b-Hexahydro-5a,9-dimethyl-3-methylenenaphtho[1,2-b]furan-2(3H)-one		 86.49
C00013239 Emmotin F
(2R-trans)-3,4-Dihydro-2-hydroxy-3-(1-hydroxy-1-methylethyl)-5,8-dimethyl-1(2H)-naphthalenone		 86.49
C00020079 3-Hydroxy-14-calamenoic acid 86.49
C00020168 3,5-Dihydro-8-hydroxy-5-isopropyl-2,7-dimethyl-1-benzoxepin-4(2H)-one 86.49
C00020174 (1S,3R,4S)-Calamenene-3,7-diol 86.49
C00020417 11-Hydroxy-4-guaien-3-one 86.49
C00020427 Pechueloic acid 86.49
C00022792 2-Hydroxyeudesm-1,4,6-triene-3,8-dione 86.49
C00030611 Kikkanol C
(+)-Kikkanol C		 86.49
C00033700 Carissone
(+)-Carissone		 86.49
C00037245 Heliannuol H
(-)-Heliannuol H		 86.49
C00039901 Oleodaphnal
(+)-Oleodaphnal		 86.49
C00039902 Oleodaphnone
(+)-Oleodaphnone		 86.49
C00042034 10-epi-7,10-epoxy-ar-bisabol-11-ol 86.49
C00042167 7,10-Epoxy-ar-bisabol-11-ol 86.49
C00043860 rel-1beta,3alpha,6beta-Trihydroxyeudesm-4-ene 86.49
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