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


and

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




INPUT WORD = C00021979 , 50% or more
[ Metabolite Name : 9-epi-9-Isocyanopupukeanane ]
Number of matched data : 122

CID Metabolite Name Structural formula Metabolite Activity Similarity (%)
C00021978 9-Isocyanopupukeanane 100.00
C00021977 2-Isocyanopupukeanane 97.22
C00012822 (1alpha,2beta,4aalpha,8aalpha)-Decahydro-1-isocyano-4a-methyl-8-methylene-2-(1-methylethyl)-naphthalene
6-Isocyano-4(15)-eudesmene		 91.67
C00012682 Acanthellin 1
[1S-(1alpha,2beta,4abeta,8alpha,8aalpha)]-Decahydro-1-isocyano-4a,8-dimethyl-2-(1-methylethenyl)naphthalene		 88.89
C00013550 Axisonitrile 1
(1R,3aR,7aR)-Octahydro-1-[(1S)-1-isocyano-2-methylpropyl]-3a-methyl-7-methylene-1H-indene		 88.89
C00021210 1-Isocyanoaromadendrane 88.89
C00021242 Axisonitrile 2 88.89
C00039328 Halichonadin C
(-)-Halichonadin C		 88.89
C00049777 4alpha-Isocyanogorgon-11-ene 88.89
C00012821 (1alpha,2beta,4aalpha,8aalpha)-N-[Decahydro-4a-methyl-8-methylene-2-(1-methylethyl)-1-naphthalenyl]-formamide 86.49
C00021666 Acanthene B 86.49
C00046272 Pannosanol
(+)-Pannosanol		 86.49
C00003124 Daucol 86.11
C00012746 beta-Dictyopterol
(1alpha,4abeta,6alpha,8aalpha)-(+-)-Decahydro-8a-methyl-4-methylene-6-(1-methylethenyl)-1-naphthalenol		 86.11
C00012747 Dictyopterone
Eudesma-4(14),11-dien-1-one		 86.11
C00013551 Axisonitrile 4
(1R,3aR,7aR)-Octahydro-1-(1-isocyano-2-methyl-1-propenyl)-3a-methyl-7-methylene-1H-indene		 86.11
C00020095 4,10-Epoxymuurolane 86.11
C00020362 Liguloxidol 86.11
C00021305 Africanone 86.11
C00021426 6-Isodaucene 14-isonitrile 86.11
C00021644 Acanthisonitrile 3 86.11
C00021648 Axisonitrile 3 86.11
C00021969 beta-Caryophyllene alcohol 86.11
C00038725 Chaenocephalol 86.11
C00044484 7-Epi-eudesm-4(15)-ene-1beta,6beta-diol 86.11
C00048826 Polydactin B
(+)-Polydactin B		 86.11
C00021211 1-Isothiocyanatoaromadendrane 84.21
C00049930 2-(Formylamino)trachyopsane
(-)-2-(Formylamino)trachyopsane		 84.21
C00012035 Shonachalin D 83.78
C00013244 Axamide 1
[1R-[1alpha(S*),3aalpha,7aalpha]]-N-[2-Methyl-1-(octahydro-3a-methyl-7-methylene-1H-inden-1-yl)propyl]formamide		 83.78
C00013549 Axisothiocyanate 1
(1R,3aR,7aR)-Octahydro-1-[(1S)-1-isothiocyanato-2-methylpropyl]-3a-methyl-7-methylene-1H-indene		 83.78
C00013552 Axisothiocyanate 4
(1R,3aR,7aR)-Octahydro-1-(1-isothiocyanato-2-methyl-1-propenyl)-3a-methyl-7-methylene-1H-indene		 83.78
C00021601 Hurgadol 83.78
C00021621 Nidificene
Intricatene		 83.78
C00021623 Obtusane 83.78
C00003121 beta-Cubebene 83.33
C00003186 beta-Eudesmene
beta-Selinene		 83.33
C00011701 [1S-(1R*,4S*,5E,7R*)]-4-Methyl-10-methylene-7-(1-methylethyl)-5-cyclodecene-1,4-diol 83.33
C00011718 Ageratriol 83.33
C00012434 (-)-1,10-Epoxy-4(14)-lepidozen-5-ol
1,10-Epoxy-4(14)-lepidozen-5-ol		 83.33
C00012466 (E)-4,4,11-Trimethyl-7-methylene-5-cycloundecen-1-one
1,3(15)-Humuladien-8-one		 83.33
C00012477 12,12-Dimethyl-9-methylene-5-Oxatricyclo[8.2.0.04,6]dodecane-4-methanol 83.33
C00012482 Caryophyllane 2,6-beta-oxide 83.33
C00012483 beta-Caryophyllene oxide
(-)-beta-Caryophyllene epoxide
(-)-Epoxydihydrocaryophyllene
beta-Caryophyllene epoxide
4beta,5alpha-Epoxycaryophyllene
6,7-Epoxy-3(15)-caryophyllene
Caryophyllene 4beta,5alpha-epoxide
trans-Caryophyllene oxide
Betula pubescens
Caryophyllene oxide		 83.33
C00012484 [1R-(1R*,4R*,6R*,10S*,12R*)]-4,12-Dimethyl-9-methylene-5-oxatricyclo[8.2.0.04,6]dodecane-12-methanol 83.33
C00012490 5-Hydroxy-5,6-secocaryophyllen-6-one 83.33
C00012703 4,11-Epoxy-cis-eudesmane 83.33
C00012715 (-)-beta-Selinene
(-)-Eudesma-4(14),11-diene
[4aS-(4aalpha,7alpha,8abeta)]-Decahydro-4a-methyl-1-methylene-7-(1-methylethenyl)naphthalene		 83.33
C00012716 5beta,10alpha-Eudesma-4(14),11-diene
[4aS-(4aalpha,7beta,8abeta)]-Decahydro-4a-methyl-1-methylene-7-(1-methylethenyl)naphthalene		 83.33
C00012717 [4aR-(4aalpha,7alpha,8aalpha)]-Decahydro-4a-methyl-1-methylene-7-(1-methylethenyl)naphthalene 83.33
C00012718 beta-Helmiscapene
[4aR-(4aalpha,7beta,8aalpha)]-Decahydro-4a-methyl-1-methylene-7-(1-methylethenyl)naphthalene		 83.33
C00012790 alpha-Corymbolol
1,[1S-(1alpha,4beta,4aalpha,6beta,8abeta)]-Octahydro-4,8a-dimethyl-6-(1-methylethenyl)-4a(2H)-naphthalenediol		 83.33
C00012791 Corymbolone
[4S-(4alpha,4abeta,6alpha,8aalpha)]-Octahydro-4a-hydroxy-4,8a-dimethyl-6-(1-methylethenyl)-1(2H)-naphthalenone		 83.33
C00013104 4-Hydroxydihydroagarofuran
[3R-(3alpha,5aalpha,9alpha,9aalpha)]-Octahydro-2,2,5a,9-tetramethyl-2H-3,9a-methano-1-benzoxepin-9-ol		 83.33
C00016958 gamma-Maaliene 83.33
C00017005 Eremofukinone 83.33
C00017465 (+)-Chiloscypholone
Chiloscypholone		 83.33
C00020044 (-)-epsilon-Bulgarene 83.33
C00020059 10beta,15-Epoxykhusinol
1beta,6alpha,7betaH-Cadina-4,10(15)-dien-3alpha-ol		 83.33
C00020109 10-Hydroxy-cadin-4-en-3-one 83.33
C00020137 (-)-1beta,10betaH-Cadin-4-ene-3alpha,10-diol 83.33
C00020139 1beta,10betaH-Cadin-4-ene-3beta,10-diol 83.33
C00020244 1(10)-Oplopene-4,9-dione 83.33
C00020245 4-Hydroxy-10(14)-oplopen-3-one 83.33
C00020251 10(14)-Oplopen-3-one 83.33
C00020361 Liguloxide 83.33
C00020365 Guaioxide 83.33
C00020385 Dolichlasin 83.33
C00020641 1beta-Hydroperoxy-4(15),5E,10(14)-germacratriene 83.33
C00020739 [3aR-(1E,3aalpha,7beta,7abeta)]-1-Ethylideneoctahydro-4-methylene-7-(1-methylethyl)-2H-inden-2-one 83.33
C00021212 Palustrol 83.33
C00021234 Sesquivarodiol 83.33
C00021272 Cubebol
Cubeb camphor
(-)-Cubebol		 83.33
C00021307 4,7-Epoxy-1-himachalen-3-ol 83.33
C00021724 beta-Isobiotol 83.33
C00021776 Clovane-2beta,9alpha-diol
Cloven-2beta,9alpha-diol
Clovanediol		 83.33
C00021778 Poitediol 83.33
C00021818 2-Silphiperfolanol 83.33
C00021859 (+)-Cyclosativene
Cyclosativene		 83.33
C00021864 Sinularene 83.33
C00021970 Cerapicol 83.33
C00021971 Culmorin 83.33
C00021972 Dipterol 83.33
C00021984 Lemnalol 83.33
C00021998 Senecrassidiol 83.33
C00022001 Tricyclohumuladiol 83.33
C00022010 Caryolan-1,9beta-diol 83.33
C00022016 4,11,11-Trimethyltricyclo[6.3.1.02.5]dodecane-6,8-diol 83.33
C00022017 4,11,11-Trimethyltricyclo[6.3.1.02.5]dodec-6-en-8-ol 83.33
C00029912 Caryophylladienol I 83.33
C00029913 Caryophylla-4(12),8(13)-dien-5beta-ol
Caryophylladienol II
Caryophylla-4(12),8(13)-dien-5alpha-ol		 83.33
C00030519 Isobonducellin
Isocaryophyllene oxide
(Z)-7-Hydroxy-3-(4'-methoxybenzylidene)chroman-4-one		 83.33
C00030520 CID is old! 83.33
C00031253 Rumphellolide C
(-)-Rumphellolide C		 83.33
C00031766 Epicubebol
epi-Cubebol
4-epi-Cubebol		 83.33
C00031907 Isokhusinodiol
(-)-Isokhusinodiol		 83.33
C00033674 beta-Copaen-4-alpha-ol 83.33
C00035436 (+)-beta-Isolongibornene 83.33
C00035723 Panaginsene 83.33
C00035992 (+)-6,11-Epoxy-isodaucane 83.33
C00036292 (-)-trans-Selina-4(15),11-dien-5-ol 83.33
C00036326 (1R,10R)-Aromadendran-9-one 83.33
C00036333 (1S,10S)-9alpha-Hydroxy-allo-aromadendrane 83.33
C00036334 (1S,10S)-allo-Aromadendran-9-one 83.33
C00036710 alpha-Copane 83.33
C00037415 Lejeuneapinguisenone 83.33
C00037810 Selina-4(15),5-diene 83.33
C00037811 Selina-5,11-diene 83.33
C00037985 Verticillatol
(-)-Verticillatol		 83.33
C00038050 (-)-Aromadendran-5-ol 83.33
C00038562 Axinynitrile A
(+)-Axinynitrile A		 83.33
C00040069 Presilphiperfolan-1-ol
(-)-Presilphiperfolan-1-ol		 83.33
C00040307 Sinugibberodiol
(-)-Sinugibberodiol		 83.33
C00040545 Tremulenediol A 83.33
C00044458 4-Hydroxy-1,8-epi-isotenerone
(-)-4-Hydroxy-1,8-epi-isotenerone		 83.33
C00044740 Eleganodiol 83.33
C00044885 Litseagermacrane
(+)-Litseagermacrane		 83.33
C00045355 Muurola-4,10(14)-dien-3-one
(-)-Muurola-4,10(14)-dien-3-one		 83.33
C00046262 Oxyphyllol C
(+)-Oxyphyllol C		 83.33
C00046527 Xenitorin D
(-)-Xenitorin D		 83.33
C00048319 Ambrox
(-)-Ambrox		 83.33
C00050396 Pogostol O-methyl ether
(-)-Pogostol O-methyl ether		 83.33
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