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


and

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




INPUT WORD = C00012644 , 50% or more
[ Metabolite Name : Isotrichodermol , 3-Hydroxytrichothecene ]
Number of matched data : 85

CID Metabolite Name Structural formula Metabolite Activity Similarity (%)
C00012603 12,13-Epoxytrichothec-9-ene 94.87
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		 94.87
C00012646 Roridin C
Trichodermol
12,13-Epoxy-trichothec-9-en-4beta-ol		 94.87
C00012654 12,13-Epoxy-4b-hydroxytrichothec-9-en-8-one
Trichothecolon		 92.68
C00036239 Verrucarol 92.68
C00012642 Anguidol
Scirpenetriol
Scirpenol
Scirpentriol
12,13-Epoxy-trichothec-9-ene-3alpha,4beta,15-triol		 90.70
C00012598 Crotocol 90.48
C00012622 Sambucinol 90.24
C00012657 7alpha-Hydroxytrichodermol 90.24
C00015733 Curvularol 90.24
C00012624 8alpha-Hydroxysambucoin 90.00
C00012625 8beta-Hydroxysambucoin 90.00
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		 90.00
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		 89.74
C00012659 Trichodiol 89.74
C00046802 Loukacinol B
(+)-Loukacinol B		 87.80
C00007240 cis,trans-Xanthoxin
2-cis,2-trans-Xanthoxin
(-)-Xanthoxin		 87.18
C00012520 Cuprenolide 87.18
C00012521 Cuprenolidol 87.18
C00012652 Trichodiol A
(+)-2-(4-Hydroxy-1,4-dimethyl-2-cyclohexen-1-yl)-2-methyl-6-oxabicyclo[3.1.0]hexane-1-methanol		 87.18
C00020712 Periplanone B 87.18
C00021345 Ptychanolide 87.18
C00021395 Pallinol 87.18
C00021405 Lapidol 87.18
C00023731 Arthrosporol 87.18
C00041642 Mairetolide A
(-)-Mairetolide A		 87.18
C00042473 Dihydrohypnophilin
(+)-Dihydrohypnophilin		 87.18
C00045401 Sativene epoxide
(-)-Sativene epoxide		 87.18
C00047348 Sch 601254 87.18
C00012637 T 2 toxin tetraol
T-2 Tetraol
T-2 tetrol
Toxin T 2 tetraol
Toxin T 4
12,13-Epoxy-trichothec-9-ene-3alpha,4beta,8alpha,15-tetrol		 86.67
C00012645 Isotrichodermin 86.67
C00021100 Pulicariolide 85.37
C00021816 Epoxycantabronic acid 85.37
C00003383 Vermeerin 85.00
C00012871 Pulchellin C
[3aR-(3aalpha,4aalpha,6beta,7alpha,8abeta,9aalpha)]-Decahydro-6,7-dihydroxy-8a-methyl-3,5-bis(methylene)-naphtho[2,3-b]furan-2(3H)-one		 85.00
C00020266 Uvidin B 85.00
C00021139 10alpha-Hydroxy-8-epi-confertin 85.00
C00034288 Stereumin A
(+)-Stereumin A		 85.00
C00034289 Stereumin B
(+)-Stereumin B		 85.00
C00041287 6-Hydroxypunctaporonin A
(-)-6-Hydroxypunctaporonin A		 85.00
C00000472 Laurefucin 84.62
C00003156 Juvabione 84.62
C00003358 Quadrone 84.62
C00011602 Yingzhaosu B 84.62
C00011603 Yingzhaosu D 84.62
C00011773 Shonachalin A 84.62
C00011801 Tatridin A
Tavulin		 84.62
C00011802 Taridin B
Tatridin B		 84.62
C00011905 (+)-Isojuvabiol
Isojuvabiol		 84.62
C00011906 (+)-Juvabiol
(4R,1'R,3'S)-Juvabiol
Juvabiol		 84.62
C00011923 (+)-Yingzhosu A
Yingzhaosu A		 84.62
C00012658 Toxin FS 2
[1S-[1alpha,4beta(1R*,4S*)]]-4-[4-Hydroxy-2-(hydroxymethyl)-1-methyl-2-cyclopenten-1-yl]-1,4-dimethyl-2-cyclohexen-1-ol
FS 2		 84.62
C00012704 6alpha,15alpha-Epoxy-1beta,4beta-dihydroxyeudesmane
[2aS-(2aalpha,5alpha,5aalpha,8alpha,8aalpha,8bbeta)]-Octahydro-5a-methyl-8-(1-methylethyl)-2H-naphtho[1,8-bc]furan-2a,5(3H)-diol		 84.62
C00012916 Telekin
Telekine
[3aR-(3aalpha,4aalpha,8abeta,9aalpha)]-Decahydro-4a-hydroxy-8a-methyl-3,5-bis(methylene)-naphtho[2,3-b]furan-2(3H)-one		 84.62
C00016696 Cheimonophyllon C 84.62
C00017476 Kanshone C 84.62
C00020118 Mansonone B 84.62
C00020267 Uvidin A 84.62
C00020268 Uvidin C 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
C00020356 Procurcumadiol 84.62
C00021011 5alpha-Hydroxy-3,4-dihydroachalensolide 84.62
C00021042 Ivalbin 84.62
C00021140 Dihydroconfertin 84.62
C00021337 Pinguisanolide 84.62
C00021344 Porellapinguisenone 84.62
C00021566 Furodysinin lactone 84.62
C00021605 10-Bromo-5,10:2,7-diepoxy-3(15)-chamigrene 84.62
C00021660 7-Hydroxydeacetylbotryenalol 84.62
C00021732 Cedrolic acid 84.62
C00021794 Hypnophilin 84.62
C00021797 Pleurotellol 84.62
C00021840 Isoquadrone 84.62
C00021892 3(12)-Gymnomitren-15-oic acid 84.62
C00021921 Herbadysidolide 84.62
C00021990 Punctaporonin A 84.62
C00021991 Punctaporonin D 84.62
C00023730 Arthrosporone 84.62
C00036688 Acutifolone A
(+)-Acutifolone A		 84.62
C00037298 Illudiolone
(+)-Illudiolone		 84.62
C00039345 Hebelodendrol
(-)-Hebelodendrol		 84.62
C00040350 Spirolingshuiolide
(-)-Spirolingshuiolide		 84.62
C00043074 Tinocordifolin
(+)-Tinocordifolin		 84.62
C00045951 Furodysin lactone 84.62
C00047350 Sch 725434 84.62
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