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


and

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




INPUT WORD = C00021295 , 50% or more
[ Metabolite Name : Valerenal ]
Number of matched data : 98

CID Metabolite Name Structural formula Metabolite Activity Similarity (%)
C00021294 Valerenol 100.00
C00021297 10-Epivalerenal 100.00
C00021296 10-Epivalerenol 96.97
C00003197 Valerenic acid 94.29
C00003189 beta-Sinensal
FEMA 3141		 90.91
C00011396 (E,E)-10-hydroxy-2,6,10-trimethyl-2,6,11-Dodecatrienal 90.91
C00011423 12-Hydroxy-trans-nerolidol
(E,E)-2,6,10-trimethyl-2,6,11-Dodecatriene-1,10-diol		 90.91
C00011424 (Z,E)-2,6,10-trimethyl-2,6,11-Dodecatriene-1,10-diol 90.91
C00012465 (E,E)-2,9,9-Trimethyl-6-methylene-2,7-cycloundecadien-1-one
gamma-Humulen-9-one		 90.91
C00032470 Valerena-4,7(11)-diene
(-)-Valerena-4,7(11)-diene		 90.91
C00021291 Valerenolic acid
Hydroxyvalerenic acid		 89.19
C00038073 (+)-Aromadendr-4-en-12-ol 88.24
C00003183 beta-Santalol
(E)-beta-Santalol		 87.88
C00003188 alpha-Sinensal 87.88
C00011395 (E,E)-(-)-10-hydroxy-2,6,10-trimethyl-2,5,7,11-Dodecatetraen-4-one 87.88
C00011446 [2S-[2alpha,5alpha(E)]]-5-(1,5-Dimethyl-1,4-hexadienyl)-2-ethenyltetrahydro-2-methylfuran 87.88
C00011447 [2S-[2alpha,5beta(E)]]-5-(1,5-Dimethyl-1,4-hexadienyl)-2-ethenyltetrahydro-2-methylfuran 87.88
C00012445 Humulene epoxide III
Humulene oxide III		 87.88
C00012478 Caryophyllenol I 87.88
C00012479 Caryophyllenol II 87.88
C00020398 1beta,10betaH-Guaia-4,11-dien-3-one 87.88
C00021293 Anhydrovalerenenol 87.88
C00021434 (+)-Pacifigorgiol
Pacifigorgiol		 87.88
C00021435 (-)-Pacifigorgiol 87.88
C00021857 (E)-beta-Santalal 87.88
C00022791 1alpha,7alpha,10alphaH-Guaia-4,11(13)-dien-3-one 87.88
C00036286 (-)-Pacifigorgia-1(9),10-diene 87.88
C00021021 11beta,13-Dihydro-desoxo-achalensolide 86.11
C00020390 Aciphyllic acid 85.71
C00003182 cis-alpha-Santalol
alpha-Santalol		 85.29
C00011521 Chokol C
(-)-Chokol C		 85.29
C00011522 Chokol D
(-)-Chokol D		 85.29
C00011577 Apotrisporin
Deoxytrisporone		 85.29
C00021821 5-Silphiperfolanone 85.29
C00021853 (E)-alpha-Santalal
alpha-Santal-10-en-12-al		 85.29
C00021854 alpha-Santalone 85.29
C00021878 Rotundenol 85.29
C00021985 Myltaylenol
(-)-Myltaylenol		 85.29
C00029917 Cedr-8(15)-en-9-ol 85.29
C00029926 Chabrolidione A 85.29
C00038273 4,5-Dehydroviridiflorol
(+)-4,5-Dehydroviridiflorol		 85.29
C00042019 (Z)-1beta-hydroxy-2-hydrolanceol 85.29
C00044886 Litseahumulane A
(-)-Litseahumulane A		 85.29
C00044887 Litseahumulane B
(-)-Litseahumulane B		 85.29
C00045981 Guatterin A
(-)-Guatterin A		 85.29
C00007542 Hexadecanal
Palmitaldehyde
1-Hexadecanal		 84.85
C00011578 Dactylenol 84.85
C00011584 Striatenone 84.85
C00011968 Sesquisabinene hydrate 84.85
C00011969 12-Sesquisabinenal
2-Methyl-6-(4-methylenebicyclo[3.1.0]hex-1-yl)-2-heptenal		 84.85
C00012424 [1R-(1R*,2E,6E,10S*,11S*)]-3,7,11-Trimethylbicyclo[8.1.0]undeca-2,6-diene-11-carboxaldehyde
13-Bicyclogermacrenal		 84.85
C00012431 (+)-Isobicyclogermacrenal 84.85
C00012464 (+)-Humulenol I
Humulenol I		 84.85
C00012466 (E)-4,4,11-Trimethyl-7-methylene-5-cycloundecen-1-one
1,3(15)-Humuladien-8-one		 84.85
C00012467 Zerumbone 84.85
C00012472 14-Hydroxy-9-epi-(beta)-caryophyllene
14-Hydroxy-9-epi-beta-caryophyllene		 84.85
C00012480 [1S-(1R*,2S*,5E,9S*)]- 6,10,10-Trimethylbicyclo[7.2.0]undec-5-ene-2-carboxaldehyde 84.85
C00012481 [1S-(1R*,2R*,5E,9S*)]-6,10,10-Trimethylbicyclo[7.2.0]undec-5-ene-2-carboxaldehyde 84.85
C00012746 beta-Dictyopterol
(1alpha,4abeta,6alpha,8aalpha)-(+-)-Decahydro-8a-methyl-4-methylene-6-(1-methylethenyl)-1-naphthalenol		 84.85
C00012747 Dictyopterone
Eudesma-4(14),11-dien-1-one		 84.85
C00013553 (1R,3aR,4R,7aS)-Octahydro-3a-methyl-7-methylene-1-(2-methyl-1-propenyl)-1H-inden-4-ol
[1R-(1alpha,3abeta,4beta,7aalpha)]-octahydro-3a-methyl-7-methylene-1-(2-methyl-1-propenyl)-1H-inden-4-ol		 84.85
C00020059 10beta,15-Epoxykhusinol
1beta,6alpha,7betaH-Cadina-4,10(15)-dien-3alpha-ol		 84.85
C00020251 10(14)-Oplopen-3-one 84.85
C00020380 Sclerosporene 84.85
C00020382 2,3,3a,4,5,6-hexahydro-1,4-dimethyl-7-(1-methylethyl)azulene 84.85
C00020393 4-Hydroxy-beta-bulnesene 84.85
C00020407 Karatavin 84.85
C00020409 Nardol 84.85
C00020410 Pogostol 84.85
C00020739 [3aR-(1E,3aalpha,7beta,7abeta)]-1-Ethylideneoctahydro-4-methylene-7-(1-methylethyl)-2H-inden-2-one 84.85
C00021204 1(10),4-Aromadendradiene 84.85
C00021226 4-Aromadendrene 84.85
C00021227 alpha-Gurjunene 84.85
C00021436 Tamariscol 84.85
C00021929 Koidzumiol 84.85
C00021960 3,4-Seco-4-longibornen-3-al 84.85
C00023989 Trichoacorenol
(1S,4S,5S,7R)-1-Isopropyl-4,8-dimethylspiro[4.5]dec-8-en-7-ol		 84.85
C00029348 (Z)-alpha-trans-Bergamotol 84.85
C00029818 beta-Maaliene 84.85
C00029912 Caryophylladienol I 84.85
C00029913 Caryophylla-4(12),8(13)-dien-5beta-ol
Caryophylladienol II
Caryophylla-4(12),8(13)-dien-5alpha-ol		 84.85
C00034456 beta-Gurjunene 84.85
C00035481 2-Hexyl-1-decanol 84.85
C00035627 Ginsinsene 84.85
C00036061 Blepharostol
(+)-Blepharostol		 84.85
C00036288 (-)-Selina-4-11-diene 84.85
C00036291 (-)-Tamariscol 84.85
C00037125 Eudesm-4(15)-en-7-ol
(+)-Eudesm-4(15)-en-7alpha-ol		 84.85
C00037126 Eudesma-4,11-diene
(+)-Selina-4,11-diene
Selina-4,11-diene		 84.85
C00037546 Neopellitorine A 84.85
C00038071 (+)-alpha-Gurjunene 84.85
C00038074 (+)-Bisabola-2,10-diene[1,9]oxide 84.85
C00042493 epi-gamma-Eudesmol
(-)-epi-gamma-Eudesmol		 84.85
C00045049 Rubiginosic acid 84.85
C00045355 Muurola-4,10(14)-dien-3-one
(-)-Muurola-4,10(14)-dien-3-one		 84.85
C00046584 4,5-Dihydro-beta-caryophyllene-14-al
(-)-4,5-Dihydro-beta-caryophyllene-14-al		 84.85
C00048739 Isomicrocionin 3 84.85
C00048855 Sinunorcaryophyllenol 84.85
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