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


and

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




INPUT WORD = C00012646 , 50% or more
[ Metabolite Name : Roridin C , Trichodermol , 12,13-Epoxy-trichothec-9-en-4beta-ol ]
Number of matched data : 57

CID Metabolite Name Structural formula Metabolite Activity Similarity (%)
C00012657 7alpha-Hydroxytrichodermol 95.12
C00012644 Isotrichodermol
3-Hydroxytrichothecene		 94.87
C00012654 12,13-Epoxy-4b-hydroxytrichothec-9-en-8-one
Trichothecolon		 92.68
C00015733 Curvularol 92.68
C00036239 Verrucarol 92.68
C00012603 12,13-Epoxytrichothec-9-ene 92.31
C00012623 Sambucoin
[3aS-(3aalpha,5aalpha,9abeta,9balpha)]-1,3a,4,5a,8,9,9a,9b-Octahydro-3a-hydroxy-7,9a,9b-trimethycyclopenta[c][1]benzopyran-3(2H)-one		 92.31
C00012598 Crotocol 90.48
C00012622 Sambucinol 90.24
C00046802 Loukacinol B
(+)-Loukacinol B		 90.24
C00012521 Cuprenolidol 89.74
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		 89.74
C00012642 Anguidol
Scirpenetriol
Scirpenol
Scirpentriol
12,13-Epoxy-trichothec-9-ene-3alpha,4beta,15-triol		 88.37
C00046801 Loukacinol A
(+)-Loukacinol A		 88.37
C00012624 8alpha-Hydroxysambucoin 87.50
C00012625 8beta-Hydroxysambucoin 87.50
C00020724 Cumambranolide
8-Desoxycumambrin B
Maximilianin		 87.18
C00021797 Pleurotellol 87.18
C00021997 Sambucinic acid 87.18
C00040919 Claviol 87.18
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		 85.00
C00012939 Nehipediol
[4aR-(4aalpha,5alpha,8alpha,8aalpha)]-5,6,7,8,8a,9-Hexahydro-4a,8-dihydroxy-3,5,8a-trimethylnaphtho[2,3-b]furan-4(4aH)-one		 85.00
C00020477 Cumambrin B 85.00
C00022655 11beta,13-Dihydro-epi-ligustrin 85.00
C00049849 11beta-Dihydroflabellin
(-)-11beta-Dihydroflabellin
(-)-11beta-Dihydroflabellin
(-)-11beta-Dihydroflabellin		 85.00
C00003300 7alpha-Hydroxydehydrocostus lactone 84.62
C00011603 Yingzhaosu D 84.62
C00011660 Cryptomerone 84.62
C00012344 Quadrangolide 84.62
C00012520 Cuprenolide 84.62
C00012530 Rosulantol 84.62
C00012659 Trichodiol 84.62
C00013044 Arbusculin C
[3aS-(3aalpha,5abeta,9aalpha,9bbeta)]-Decahydro-9a-hydroxy-5a-methyl-3,9-bis(methylene)naphtho[1,2-b]furan-2(3H)-one		 84.62
C00013058 Herbolide G
[3S-(3alpha,3aalpha,5beta,5abeta,9aalpha,9bbeta)]-3a,4,5,5a,6,7,9a,9b-Octahydro-5-hydroxy-3,5a,9-trimethylnaphtho[1,2-b]furan-2(3H)-one		 84.62
C00016696 Cheimonophyllon C 84.62
C00016969 [1aR-(1aalpha,4beta,4abeta,9aS*)]-1a,2,4,4a-tetrahydro-4,4a,6-trimethyl-3H-oxireno[8,8a]naphtho[2,3-b]furan-5(9H)-one 84.62
C00020228 [1S-(1alpha,4alpha,4aalpha,8aalpha)]-1,3,4,4a,5,8a-Hexahydro-1-hydroxy-4,7-dimethyl-1-(1-methylethyl)-2,6-naphthalenedione 84.62
C00020279 [1R-(1alpha,4abeta,6alpha,8aalpha)]-1,4,4a,5,6,7,8,8a-Octahydro-6-hydroxy-5,5,8a-trimethyl-1,2-naphthalenedimethanol 84.62
C00020614 [3S-(3alpha,3aalpha,6alpha,6aalpha,9aalpha,9bbeta)]-Decahydro-3-methyl-9-methylene-spiro[azuleno[4,5-b]furan-6(2H),2'-oxiran]-2-one 84.62
C00020726 10beta-Hydroxycichopumilide 84.62
C00020728 Trifloculoside 84.62
C00020923 [3aR-(3aalpha,4aalpha,5alpha,9abeta)]-3a,4,4a,5,6,7,9,9a-Octahydro-5-hydroxy-5,8-dimethyl-3-methylene-azuleno[6,5-b]furan-2(3H)-one 84.62
C00020924 Dihydropseudoivalin 84.62
C00021011 5alpha-Hydroxy-3,4-dihydroachalensolide 84.62
C00021318 Longipin-2-ene-7beta,9alpha-diol-1-one 84.62
C00021344 Porellapinguisenone 84.62
C00021683 (11R)-11,13-Dihydrotatridin A 84.62
C00021704 4beta,5alpha-Epoxy-4,5-cis-inunolide 84.62
C00021706 1beta,10alpha-Epoxy-1,10-H-cis-inunolide 84.62
C00021790 (5alpha,8beta,10alpha)-9(12)-Capnellene-5,8,10-triol 84.62
C00021813 Cantabrenolic acid 84.62
C00034802 Bisabolol oxide B 84.62
C00043074 Tinocordifolin
(+)-Tinocordifolin		 84.62
C00044095 Artemisinic acid methyl ester 84.62
C00044955 Neolitacumone B
(+)-Neolitacumone B		 84.62
C00045951 Furodysin lactone 84.62
C00047361 2,3-Dehydroillifunone 84.62
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