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


and

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




INPUT WORD = C00012658 , 50% or more
[ Metabolite Name : Toxin FS 2 , [1S-[1alpha,4beta(1R*,4S*)]]-4-[4-Hydroxy-2-(hydroxymethyl)-1-methyl-2-cyclopenten-1-yl]-1,4-dimethyl-2-cyclohexen-1-ol , FS 2 ]
Number of matched data : 117

CID Metabolite Name Structural formula Metabolite Activity Similarity (%)
C00012652 Trichodiol A
(+)-2-(4-Hydroxy-1,4-dimethyl-2-cyclohexen-1-yl)-2-methyl-6-oxabicyclo[3.1.0]hexane-1-methanol		 92.11
C00012659 Trichodiol 92.11
C00012655 [3S-[3lphaa,4beta,5beta,7beta(1R*,4S*)]]-7-(4-Hydroxy-1,4-dimethyl-2-cyclohexen-1-yl)-7-methyl-1-oxaspiro[2.4]heptane-4,5-diol
Trichotriol		 90.00
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		 89.19
C00021997 Sambucinic acid 86.84
C00012450 4,7,7,11-Tetramethyl-12-oxabicyclo[9.1.0]dodec-4-ene-3,6-diol
Fexerol		 86.49
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		 86.49
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		 86.49
C00012798 Longilobol
(2alpha,3beta,4aalpha,8abeta)-(+)-Octahydro-3-(1-hydroxy-1-methylethyl)-8a-methyl-5-methylene-2,4a(2H)-naphthalenediol		 86.49
C00013556 (+)-Bullatantriol
Bullatantriol
(1R,3aR,4R,7S,7aR)-Octahydro-1-(2-hydroxy-2-methylpropyl)-3a,7-dimethyl-1H-indene-4,7-diol		 86.49
C00016997 Lateriflorol 86.49
C00020278 Isoalbrassitriol 86.49
C00021892 3(12)-Gymnomitren-15-oic acid 86.49
C00023639 Chokol E
(3R)-6-[1R,2S,3R)-3-Hydroxy-2,3-dimethylcyclopentyl]-2-methylhepta-6-ene-2,3-diol
(-)-Chokol E		 86.49
C00030062 Curcarabranol A 86.49
C00030063 Curcarabranol B
(+)-Curcarabranol B		 86.49
C00039824 Nardosinanol C
(-)-Nardosinanol C		 86.49
C00000497 2Z-8-Epixanthatin 85.00
C00012644 Isotrichodermol
3-Hydroxytrichothecene		 84.62
C00012604 [3S-[3alpha,4beta,7bbeta(1S*,2R*)]]-7-(2-Hydroxy-1,4-dimethyl-3-cyclohexen-1-yl)-7-methyl-1-oxaspiro[2.4]heptan-4-ol
Isotrichodiol		 84.21
C00013050 Brachylaenolide
[3aS-(3aalpha,5abeta,8alpha,9aalpha,9bbeta)]-3a,4,5,5a,8,9,9a,9b-Octahydro-8-hydroxy-5a-methyl-3,9-bis(methylene)naphtho[1,2-b]furan-2(3H)-one		 84.21
C00017483 Lemnacarnol 84.21
C00018191 (-)-Merulidial
Merulidial		 84.21
C00020197 Secofloribundione 84.21
C00020267 Uvidin A 84.21
C00020268 Uvidin C 84.21
C00020720 Tannunolide D 84.21
C00021048 Microhelenin E 84.21
C00021318 Longipin-2-ene-7beta,9alpha-diol-1-one 84.21
C00021468 Illudol 84.21
C00021469 3-epi-Illudol 84.21
C00021473 Neoilludol 84.21
C00021636 Laurencial 84.21
C00021732 Cedrolic acid 84.21
C00021790 (5alpha,8beta,10alpha)-9(12)-Capnellene-5,8,10-triol 84.21
C00021961 Upial 84.21
C00023731 Arthrosporol 84.21
C00030065 Curcumenolactone A
(+)-Curcumenolactone A		 84.21
C00030066 Curcumenolactone B
(-)-Curcumenolactone B		 84.21
C00035661 Illudin J2
(-)-Illudin J2		 84.21
C00045919 Epoxyjaeschkeanadiol
Jaeschkeanadiol alpha-epoxide		 84.21
C00047108 Trichocarane A
(-)-Trichocarane A		 84.21
C00003107 1,2-Naphthalenedicarboxaldehyde
(-)-Muzigadial
Muzigadial
Canellal		 83.78
C00003155 Isovelleral 83.78
C00003394 Xanthatin 83.78
C00011033 [1S-(1a,2b,5a,6a)]-4,7,7-trimethylbicyclo[3.1.1]hept-3-ene-2,6-diol diacetate 83.78
C00011380 5,10-Dihydroxy-2,6,10-trimethyl-2,6,11-dodecatrien-4-one
Vernopolyanthone		 83.78
C00011398 Kobusimin A 83.78
C00011399 Kobusimin B 83.78
C00011463 [2R-[2alpha(2R*,4E),5beta]]-2-(5-Ethenyltetrahydro-5-methyl-2-furanyl)-6-hydroxy-6-methyl-4-hepten-3-one 83.78
C00011528 Cyclonerotriol 83.78
C00011530 Eumorphistonol 83.78
C00011531 Herbasolide 83.78
C00011576 Trisporone 83.78
C00011660 Cryptomerone 83.78
C00012000 8alpha,11-Elemadiol 83.78
C00012442 Asteriscunolide D 83.78
C00012485 Lychnopholic acid
Lychnophorolic acid		 83.78
C00012500 Punctaporonin B
(1R*,4R*,5Z,7E,9S*)-(-)-8-(hydroxymethyl)-4,11,11-trimethylbicyclo[7.2.0]undeca-5,7-diene-1,4-diol		 83.78
C00012519 (+)-Cuprenenol
Cuprenenol		 83.78
C00012603 12,13-Epoxytrichothec-9-ene 83.78
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 83.78
C00012771 Pterocarptriol
[1R-(1alpha,3alpha,4abeta,7beta,8aalpha)]-Decahydro-7-(1-hydroxy-1-methylethyl)-1,4a-dimethyl-1,3-naphthalenediol		 83.78
C00012772 Pterocarpdiolone
[4R-(4alpha,4aalpha,6beta,8abeta)]-Octahydro-4-hydroxy-6-(1-hydroxy-1-methylethyl)-4,8a-dimethyl-2(1H)-naphthalenone		 83.78
C00012773 Pigmol
Pygmol
[1R-(1alpha,4abeta,7beta,8alpha,8aalpha)]-Decahydro-7-(1-hydroxy-1-methylethyl)-1,4a-dimethyl-1,8-naphthalenediol		 83.78
C00012796 Chenopotriol
[1R-(1alpha,2beta,4abeta,7alpha,8aalpha)]-Decahydro-2-(1-hydroxy-1-methylethyl)-4a-methyl-8-methylene-1,7-naphthalenediol		 83.78
C00012797 [1R-(1alpha,2beta,4abeta,7beta,8aalpha)]-Decahydro-2-(1-hydroxy-1-methylethyl)-4a-methyl-8-methylene-1,7-naphthalenediol
3-epi-Chenopotriol		 83.78
C00012852 Ilicic acid
Vachanic acid		 83.78
C00013571 Crispatanolide
(3R,4aS,4bR,5aR,6aR)-Hexahydro-4b-methyl-3-(1-methylethyl)-3H-3,6a-ethano-1H-cyclopropa[3,4]cyclopenta[1,2-c]pyran-1-one		 83.78
C00017491 2-Epibrasilenol
Epibrasilenol		 83.78
C00017494 2,5-Epoxy-1(6)-brasilen-9-ol 83.78
C00017514 Kanokonol
14-Hydroxyvaleranone		 83.78
C00020164 Verboccidentafuran 4alpha,5alpha-epoxide 83.78
C00020236 3,10-Dihydroxy-4-oplopanone
3-Hydroxyoplopanone		 83.78
C00020262 Uvidin D 83.78
C00020270 [1S-(1alpha,2alpha,3beta,4abeta,8aalpha)]-Decahydro-1-(hydroxymethyl)-2,5,5,8a-tetramethyl-2,3-naphthalenediol 83.78
C00020279 [1R-(1alpha,4abeta,6alpha,8aalpha)]-1,4,4a,5,6,7,8,8a-Octahydro-6-hydroxy-5,5,8a-trimethyl-1,2-naphthalenedimethanol 83.78
C00020281 [1R-(1alpha,4abeta,5alpha,8aalpha)]-1,4,4a,5,6,7,8,8a-Octahydro-5,8a-dimethyl-1,2,5-naphthalenetrimethanol 83.78
C00020338 2-Deacetoxy-11beta,13-dihydroxanthinin 83.78
C00020386 8alpha-Hydroxydolichlasin 83.78
C00020405 Pleocarpenene 83.78
C00021315 Isocentdarol 83.78
C00021440 Broderol 83.78
C00021484 Candicansol 83.78
C00021557 5,8-Dihydroxy-14-nor-7-marasmanone 83.78
C00021558 5,7-Dihydroxy-14-nor-8-marasmanone 83.78
C00021613 2-Chloro-3-hydroxy-7-chamigren-9-one 83.78
C00021627 3-Bromo-4-chloro-7(14)-chamigren-9-ol 83.78
C00021710 8-epi-Tomentosin 83.78
C00021731 8,14-Cedranolide 83.78
C00021734 4-Ketocedrol 83.78
C00021890 3(15)-Gymnomitren-12-ol 83.78
C00021891 3(12)-Gymnomitren-15-al 83.78
C00021971 Culmorin 83.78
C00022016 4,11,11-Trimethyltricyclo[6.3.1.02.5]dodecane-6,8-diol 83.78
C00022681 11-Hydroxy-4,5-seco-eudesmane-4,5-dione 83.78
C00029543 4S-Dihydrocurcumenone 83.78
C00029644 Aerugidiol 83.78
C00031162 Rhombitriol
(-)-Rhombitriol		 83.78
C00031253 Rumphellolide C
(-)-Rumphellolide C		 83.78
C00031494 11-Methoxyopposit-4(15)-en-1beta-ol 83.78
C00031642 Cadinane-4beta,5alpha,10beta-triol
(-)-Cadinane-4beta,5alpha,10beta-triol		 83.78
C00032036 Muurolane-4beta,5beta,10beta-triol
(-)-Muurolane-4beta,5beta,10beta-triol
 83.78
C00033538 1beta,4beta,7alpha-Trihydroxyeudesmane
(-)-1beta,4beta,7alpha-Trihydroxyeudesmane		 83.78
C00035107 Ganomastenol C 83.78
C00037367 Kanshone G
(-)-Kanshone G		 83.78
C00038316 7alpha-Hydroxyisopterocarpolone 83.78
C00038809 Clypeotriol
(+)-Clypeotriol		 83.78
C00042019 (Z)-1beta-hydroxy-2-hydrolanceol 83.78
C00042884 Pulicanadienol
(+)-Pulicanadienol		 83.78
C00042891 Pulioplopanone B
(+)-Pulioplopanone B		 83.78
C00043343 Canusesnol D
(+)-Canusesnol D		 83.78
C00045891 epi-Cuparadiepoxide
(+)-epi-Cuparadiepoxide		 83.78
C00046204 Neocuprenenol
(+)-Neocuprenenol		 83.78
C00047110 Trichocarane C
(-)-Trichocarane C		 83.78
C00047559 Schisanwilsonene C
(+)-Schisanwilsonene C		 83.78
C00048616 Aspergillide C
(+)-Aspergillide C		 83.78
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