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


and

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




INPUT WORD = C00012487 , 50% or more
[ Metabolite Name : Buddledin B ]
Number of matched data : 103

CID Metabolite Name Structural formula Metabolite Activity Similarity (%)
C00039346 Hebelophyllene A
(-)-Hebelophyllene A		 94.59
C00039347 Hebelophyllene B
(-)-Hebelophyllene B		 94.59
C00012488 Buddledin C 94.29
C00012489 Buddledin D 94.29
C00030615 Kikkanol F
(-)-Kikkanol F		 91.67
C00047355 Suberosol B
(-)-Suberosol B		 91.67
C00011380 5,10-Dihydroxy-2,6,10-trimethyl-2,6,11-dodecatrien-4-one
Vernopolyanthone		 91.43
C00011521 Chokol C
(-)-Chokol C		 91.43
C00011522 Chokol D
(-)-Chokol D		 91.43
C00012465 (E,E)-2,9,9-Trimethyl-6-methylene-2,7-cycloundecadien-1-one
gamma-Humulen-9-one		 91.43
C00012473 [1S-(1R*,2S*,5E,9S*)]- 6,10,10-Trimethyl-spiro[bicyclo[7.2.0]undec-5-ene-2,2'-oxirane]
3',15-Epoxy-6-caryophyllene		 91.43
C00012480 [1S-(1R*,2S*,5E,9S*)]- 6,10,10-Trimethylbicyclo[7.2.0]undec-5-ene-2-carboxaldehyde 91.43
C00012481 [1S-(1R*,2R*,5E,9S*)]-6,10,10-Trimethylbicyclo[7.2.0]undec-5-ene-2-carboxaldehyde 91.43
C00012486 Lychnophoric acid 91.43
C00012497 Parvinolide
[3aS-(3aR*,6E,10aR*)]-3,3a,4,5,8,9,10,10a-Octahydro-2,2,6-trimethyl-10-methylene-2H-cyclonona[b]furan-2-one		 91.43
C00020401 Watsonol A 91.43
C00021705 Germacrene-D-lactone 91.43
C00042020 (Z)-Campherene-2beta,13-diol
(-)-(Z)-Campherene-2beta,13-diol		 91.43
C00042098 2R-(Z)-Campherene-2,13-diol
(-)-2R-(Z)-Campherene-2,13-diol		 91.43
C00043547 Godotol B
(-)-Godotol B		 91.43
C00046110 Madolin W 91.43
C00012442 Asteriscunolide D 89.19
C00012485 Lychnopholic acid
Lychnophorolic acid		 89.19
C00047347 Sch 601253 89.19
C00047349 Sch 725432 89.19
C00003245 Dehydrocostus lactone 88.89
C00011528 Cyclonerotriol 88.89
C00012477 12,12-Dimethyl-9-methylene-5-Oxatricyclo[8.2.0.04,6]dodecane-4-methanol 88.89
C00020907 Columellarin 88.89
C00020908 Dihydrocolumellarin 88.89
C00021307 4,7-Epoxy-1-himachalen-3-ol 88.89
C00021781 Capnellene-8beta,10alpha-diol 88.89
C00022001 Tricyclohumuladiol 88.89
C00022016 4,11,11-Trimethyltricyclo[6.3.1.02.5]dodecane-6,8-diol 88.89
C00031253 Rumphellolide C
(-)-Rumphellolide C		 88.89
C00041809 Russujaponol C
(-)-Russujaponol C		 88.89
C00042879 Pulicanadienal A
(+)-Pulicanadienal A		 88.89
C00044458 4-Hydroxy-1,8-epi-isotenerone
(-)-4-Hydroxy-1,8-epi-isotenerone		 88.89
C00046527 Xenitorin D
(-)-Xenitorin D		 88.89
C00003110 beta-Caryophyllene
(E)-beta-Caryophyllene
caryophyllene
Caryophyllene
(E)-Caryophyllene
(-)-(E)-Caryophyllene
trans-Caryophyllene
trans-beta-Caryophyllene		 88.57
C00011378 2,10-Dihydroxy-2,6,10-trimethyl-3,6,11-dodecatrien-5-one 88.57
C00011381 8,10-Dihydroxy-2,6,10-trimethyl-2,6,11-dodecatrien-4-one 88.57
C00011397 8-Oxonerolidol 88.57
C00011417 3,7,11-Trimethyl-1,4,6,10-dodecatetraene-3,8-diol 88.57
C00011431 [3R-(3R*,5S*,6E,9S*)]-3,7,11-trimethyl-1,6,10-dodecatriene-3,5,9-triol 88.57
C00011708 Shiromool 88.57
C00011898 Dihydropseudotsugonol 88.57
C00011899 Dihydropseudotsugonal 88.57
C00012443 Humulene epoxide
Humulene oxide
alpha-Humulene oxide
Humulene I epoxide
Humulene epoxide I
Humulene monoxide
Humulene oxide I		 88.57
C00012445 Humulene epoxide III
Humulene oxide III		 88.57
C00012464 (+)-Humulenol I
Humulenol I		 88.57
C00012466 (E)-4,4,11-Trimethyl-7-methylene-5-cycloundecen-1-one
1,3(15)-Humuladien-8-one		 88.57
C00012467 Zerumbone 88.57
C00012468 Zerumbone oxide 88.57
C00012471 (+)-9-epi-beta-Caryophyllene
9-epi-(E)-Caryophyllene		 88.57
C00012472 14-Hydroxy-9-epi-(beta)-caryophyllene
14-Hydroxy-9-epi-beta-caryophyllene		 88.57
C00012474 Isocaryophyllene
(-)-Isocaryophyllene
(Z)-Caryophyllene
gamma-Caryophyllen
cis-Caryophyllene		 88.57
C00012483 (-)-beta-Caryophyllene epoxide
beta-Caryophyllene oxide
(-)-Epoxydihydrocaryophyllene
beta-Caryophyllene epoxide
4beta,5alpha-Epoxycaryophyllene
6,7-Epoxy-3(15)-caryophyllene
Caryophyllene 4beta,5alpha-epoxide
trans-Caryophyllene oxide
Betula pubescens
Caryophyllene oxide		 88.57
C00012490 5-Hydroxy-5,6-secocaryophyllen-6-one 88.57
C00012502 Bicyclohumulenedione
[1S-(1R*,5S*,10R*)]-1,5,8,8-tetramethylbicyclo[8.1.0]undecane-2,6-dione		 88.57
C00012766 (-)-10-epi-5beta,11-Dihydroxyeudesmane
[2R-(2alpha,4abeta,8alpha,8aalpha)]-Decahydro-8a-hydroxy-a,a,4a,8-tetramethyl-2-naphthalenemethanol		 88.57
C00012818 (2R-trans)-3,4,4a,5,6,7-Hexahydro-2-hydroxy-4a,8-dimethyl-2-(1-methylethyl)-1(2H)-naphthalenone
7alpha-Hydroxyneoacolamone		 88.57
C00012827 [3R-(3alpha,4abeta,7beta)]-2,3,4,4a,5,6,7,8-Octahydro-3-hydroxy-4a-methyl-7-(1-methylethenyl)-1-naphthalenecarboxaldehyde 88.57
C00012841 alpha-Rotunol
[4aS-(4aalpha,6beta,8abeta)]-4a,5,6,7,8,8a-hexahydro-4a-hydroxy-4,8a-dimethyl-6-(1-methylethenyl)-2(1H)-naphthalenone		 88.57
C00012842 (+)-beta-Rotunol
beta-Rotunol
[4aR-(4aalpha,6alpha,8aalpha)]-4a,5,6,7,8,8a-hexahydro-4a-hydroxy-4,8a-dimethyl-6-(1-methylethenyl)-2(1H)-naphthalenone		 88.57
C00012853 Isocorymbolone
[4R-(4a,4aa,6b,8a,8ab)]-Octahydro-8-hydroxy-4,8a-dimethyl-6-(1-methylethenyl)-1(2H)-naphthalenone		 88.57
C00017016 [3S-(3alpha,4aalpha,5alpha,6beta,8aalpha)]-Octahydro-6-hydroxy-4a,5-dimethyl-3-(1-methylethenyl)-1(2H)-naphthalenone 88.57
C00017465 (+)-Chiloscypholone
Chiloscypholone		 88.57
C00020109 10-Hydroxy-cadin-4-en-3-one 88.57
C00020137 (-)-1beta,10betaH-Cadin-4-ene-3alpha,10-diol 88.57
C00020139 1beta,10betaH-Cadin-4-ene-3beta,10-diol 88.57
C00021248 (-)-Myliol
Myliol		 88.57
C00021315 Isocentdarol 88.57
C00021322 Marsupellol 88.57
C00021384 CAF-603 88.57
C00021585 Acoronene 88.57
C00021835 Panasinsanol B 88.57
C00021836 Panasinsanol A 88.57
C00021969 beta-Caryophyllene alcohol
Caryolan-1-ol		 88.57
C00022017 4,11,11-Trimethyltricyclo[6.3.1.02.5]dodec-6-en-8-ol 88.57
C00023989 Trichoacorenol
(1S,4S,5S,7R)-1-Isopropyl-4,8-dimethylspiro[4.5]dec-8-en-7-ol		 88.57
C00029912 Caryophylladienol I 88.57
C00029913 Caryophylla-4(12),8(13)-dien-5beta-ol
Caryophylladienol II
Caryophylla-4(12),8(13)-dien-5alpha-ol		 88.57
C00030519 Isobonducellin
Isocaryophyllene oxide
(Z)-7-Hydroxy-3-(4'-methoxybenzylidene)chroman-4-one		 88.57
C00030520 CID is old! 88.57
C00031442 Zerumbone epoxide 88.57
C00031538 2,9-Humuladien-6-ol-8-one
(-)-2,9-Humuladien-6-ol-8-one		 88.57
C00031641 Cadin-10(14)-ene-4beta,5alpha-diol
(-)-Cadin-10(14)-ene-4beta,5alpha-diol		 88.57
C00031954 Khusinodiol 88.57
C00033140 Madolin E
(+)-Madolin E		 88.57
C00035842 iso-Acorone 88.57
C00036062 Buddledin E 88.57
C00036128 Isovaleroyloxylinalool 88.57
C00036302 (+)-Dihydrochiloscypholone 88.57
C00040545 Tremulenediol A 88.57
C00042890 Pulioplopanone A
(-)-Pulioplopanone A		 88.57
C00043049 Suberosenol A
(-)-Suberosenol A		 88.57
C00043973 Teucladiol 88.57
C00044032 (+)-beta-Caryophyllene 88.57
C00046584 4,5-Dihydro-beta-caryophyllene-14-al
(-)-4,5-Dihydro-beta-caryophyllene-14-al		 88.57
C00046939 Suberosanone
(-)-Suberosanone		 88.57
C00046941 Suberosenol B
(-)-Suberosenol B		 88.57
C00048351 Caryophylla-4(14),8(15)-dien-5alpha-ol 88.57
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