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


and

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




INPUT WORD = C00048620 , 50% or more
[ Metabolite Name : Axinythiocyanate A , (+)-Axinythiocyanate A ]
Number of matched data : 122

CID Metabolite Name Structural formula Metabolite Activity Similarity (%)
C00021667 7-Isothiocyanato-7,8-dihydro-alpha-bisabolene 94.44
C00020115 1-Isothiocyanato-4-muurolene 89.19
C00021665 10-Isothiocyanato-4-cadinene 89.19
C00021668 (1R,6S,7S,10S)-10-Isothiocyanato-4-amorphene
10-Isothiocyanato-4-amorphene		 89.19
C00038558 Axinisothiocyanate K
(+)-Axinisothiocyanate K		 89.19
C00021647 Axisothiocyanate 3 86.49
C00003103 (+)-alpha-Bisabolol 86.11
C00011586 [R-(R*,R*)]-alpha,4-Dimethyl-alpha-(4-methyl-3-pentenyl)-3-cyclohexene-1-methanamine 86.11
C00011587 Aminobisabolene
[S-(R*,S*)]-alpha,4-Dimethyl-alpha-(4-methyl-3-pentenyl)-3-cyclohexene-1-methanamine		 86.11
C00011695 [R-(R*,R*)]-4-(1-Isocyano-1,5-dimethyl-4-hexenyl)-1-methyl-cyclohexene 86.11
C00021669 7-Isocyano-7,8-dihydro-a-bisabolene 86.11
C00038559 Axinisothiocyanate L
(-)-Axinisothiocyanate L		 84.62
C00021646 Axamide 3 83.78
C00021664 10-Isothiocyanatoguai-6-ene 83.78
C00042987 Scortechterpene B
(+)-Scortechterpene B		 83.78
C00003144 Hernandulcin 83.33
C00007242 (S)-beta-Bisabolene
beta-Bisabolene
(-)-beta-Bisabolene
l-beta-Bisabolene
1-Methyl-4-(5-methyl-1-methylene-4-hexenyl)cyclohexene		 83.33
C00011589 (+)-Isoaminobisabolenol b
Isoaminobisabolenol b		 83.33
C00011590 (+)-Isoaminobisabolenol a
Isoaminobisabolenol a		 83.33
C00011646 (+)-beta-Atlantone
beta-Atlantone		 83.33
C00011677 [R-(R*,S*)]-6-Hydroxy-2-methyl-6-(4-methyl-3-cyclohexen-1-yl)-2-hepten-4-one 83.33
C00011678 Delobanone
[R-(R*,S*)]-5-(1-Hydroxy-1,5-dimethyl-4-hexenyl)-2-methyl-2-cyclohexen-1-one		 83.33
C00011694 [R-(R*,R*)]-4-(1-Isocyanato-1,5-dimethyl-4-hexenyl)-1-methyl-cyclohexene 83.33
C00011922 Theonellin isothiocyanate 83.33
C00011965 Sesquicarene
[1R-(1a,6a,7a)]-3,7-Dimethyl-7-(4-methyl-3-pentenyl)-bicyclo[4.1.0]hept-2-ene		 83.33
C00020150 delta-Cadinol
(-)-Torreyol
Torreyol
Cedreanol
Sesquigoyol		 83.33
C00020154 tau-Muurolol
epi-alpha-Muurolol
T-Muurolol		 83.33
C00020224 9-Oxo-10,11-dehydroageraphorone 83.33
C00021242 Axisonitrile 2 83.33
C00021599 4-Chloro-3,7(14)-chamigradien-9-ol 83.33
C00021648 Axisonitrile 3 83.33
C00034802 Bisabolol oxide B 83.33
C00037106 ent-T-muurolol 83.33
C00038074 (+)-Bisabola-2,10-diene[1,9]oxide 83.33
C00038117 10alpha,11-Dihydroxyamorph-4-ene 83.33
C00040747 (+)-T-cadinol 83.33
C00021211 1-Isothiocyanatoaromadendrane 81.58
C00016474 Sulfinemycin 81.08
C00021598 Elatol 81.08
C00021666 Acanthene B 81.08
C00021670 Axisocyanate 3 81.08
C00044095 Artemisinic acid methyl ester 81.08
C00003116 beta-Chamigrene 80.56
C00003141 Helminthosporol 80.56
C00003145 Himachalol 80.56
C00003292 Glechomanolide 80.56
C00007632 (E)-alpha-Bisabolene 80.56
C00010853 [1R-[1a(Z),6b]]-2-Methyl-3-methyl-6-(1-methylethyl)-2-oxo-3-cyclohexen-1-yl ester 80.56
C00011603 Yingzhaosu D 80.56
C00011607 (-)-alpha-Bisabolol 80.56
C00011608 Dihydro-beta-atlantone 80.56
C00011637 Helianthol A
[R-(E)]-2-Methyl-6-(4-methyl-3-cyclohexen-1-yl)-4,6-heptadien-2-ol		 80.56
C00011644 (Z)-alpha-Atlantone
[R-(Z)]-2-Methyl-6-(4-methyl-3-cyclohexen-1-yl)-2,5-heptadien-4-one		 80.56
C00011647 (-)-Cryptomerione
(R)-Cryptomerione		 80.56
C00011652 (-)-alpha-Bisabolol oxide B
(-)-Bisabolol oxide B
alpha-Bisabolol oxide B
Bisabolol oxide II		 80.56
C00011660 Cryptomerone 80.56
C00011689 [R-(E)]-6-(4-Formyl-3-cyclohexen-1-yl)-2-methyl-2,6-heptadienoic acid 80.56
C00011904 (+)-Epitodomatuic acid
Epitodomatuic acid		 80.56
C00011918 Sesquicineole 80.56
C00011920 Theonellin formamide 80.56
C00011921 3-Isocyanotheonellin
Theonellin isocyanide		 80.56
C00011930 (+)-Cabreuva oxide B
Cabreuva oxide B		 80.56
C00011932 (-)-Cabreuva oxide D
Cabreuva oxide D		 80.56
C00011967 Sesquithujene 80.56
C00012068 1,10-Epoxygermacron 80.56
C00012379 [3R-(3R*,3aR*,5E,9E,11aS*)]-3a,4,7,8,11,11a-Hexahydro-3,6,10-trimethylcyclodeca[b]furan-2(3H)-one 80.56
C00012380 Inunolide 80.56
C00012381 Dihydroinunolide
[3S-(3R*,3aS*,5E,9E,11aS*)]-3a,4,7,8,11,11a-hexahydro-3,6,10-trimethylcyclodeca[b]furan-2(3H)-one		 80.56
C00012530 Rosulantol 80.56
C00012822 (1alpha,2beta,4aalpha,8aalpha)-Decahydro-1-isocyano-4a-methyl-8-methylene-2-(1-methylethyl)-naphthalene
6-Isocyano-4(15)-eudesmene		 80.56
C00017520 Amorpha-4,11-diene
(-)-Amorpha-4,11-diene
4,11-Amorphadiene
Amorphadiene		 80.56
C00017521 Arteannuic acid
Artemisic acid
Artemisinic acid
Artemisininic acid
Qing Hau acid		 80.56
C00020049 gamma2-Cadinene
3,10(14)-Cadinadiene		 80.56
C00020065 alpha-Cadinol
Cadin-4-en-10-ol
(-)-alpha-Cadinol		 80.56
C00020096 9,10-Epoxy-4-muurolene 80.56
C00020138 10-Hydroxy-4-muurolen-3-one 80.56
C00020155 Pernetic acid B 80.56
C00020226 9-Oxoageraphorone 80.56
C00020227 9beta-Hydroxyageraphorone 80.56
C00020393 4-Hydroxy-beta-bulnesene 80.56
C00021210 1-Isocyanoaromadendrane 80.56
C00021236 Isosparthulenol
Isospathulenol		 80.56
C00021309 alpha-Himachalene 80.56
C00021315 Isocentdarol 80.56
C00021317 2-Himachalene-7,12-diol 80.56
C00021575 Cyclodehydroisolubimin 80.56
C00021577 delta-Acoradiene 80.56
C00021578 beta-Alaskene 80.56
C00021580 beta-Acoradiene 80.56
C00021581 gamma-Acoradiene
(-)-alpha-Alaskene		 80.56
C00021585 Acoronene 80.56
C00021586 beta-Acorenol 80.56
C00021587 alpha-Acorenol 80.56
C00021923 Isoacanthodoral 80.56
C00021924 Isohimachalone 80.56
C00029679 alpha-Bisabolol
(-)-Bisabolol		 80.56
C00030130 Dihydroartemisinic acid
(-)-Dihydroartemisinic acid		 80.56
C00030345 gamma-Cadinene 80.56
C00031954 Khusinodiol 80.56
C00034408 CID is old! 80.56
C00034498 Engelhardic acid 80.56
C00034817 Chrysetunone 80.56
C00034860 Indicumenone 80.56
C00034905 CID is old! 80.56
C00035098 epi-alpha-Bisabolol
(-)-epi-alpha-Bisabolol		 80.56
C00035184 (+)-alpha-Cadinol 80.56
C00035439 (S)-(Z)-Lanceol
Z-lanceol
cis-Lanceol		 80.56
C00035673 Lanceoloxide
(-)-Lanceoloxide		 80.56
C00035798 Acorenone
(-)-Acorenone		 80.56
C00035802 alpha-Neocallitropsene
(-)-alpha-Neocallitropsene		 80.56
C00035828 gamma-Amorphene
(+)-gamma-Amorphene		 80.56
C00036269 (-)-Amorpha-4,7(11)-diene 80.56
C00036278 (-)-gamma-Cadinene 80.56
C00037033 Deoxyarteannuin B
Deoxyisoartemisinin C		 80.56
C00037054 Dihydrodeoxyarteannuin B 80.56
C00038048 (-)-alpha-Alasken-6beta-ol 80.56
C00038319 7-epi-Sesquithujene 80.56
C00038340 9-Deoxyelatol
(+)-9-Deoxyelatol		 80.56
C00039328 Halichonadin C
(-)-Halichonadin C		 80.56
C00042021 (Z)-Lanceol 80.56
C00047290 Lignoren 80.56
C00050396 Pogostol O-methyl ether
(-)-Pogostol O-methyl ether		 80.56
Page Top