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


and

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




INPUT WORD = C00003325 , 50% or more
[ Metabolite Name : Mexicanin E ]
Number of matched data : 75

CID Metabolite Name Structural formula Metabolite Activity Similarity (%)
C00021049 Microhelenin F 94.74
C00021143 Aromatin 94.74
C00020714 Isodehydrocostus lactone 94.44
C00003210 Ambrosin 92.11
C00021048 Microhelenin E 92.11
C00021138 8-epi-Confertin 92.11
C00012879 (+)-Isoalloalantolactone
Isoalloalantolactone
[3aR-(3aalpha,4aalpha,8abeta,9aalpha)]-3a,4,4a,7,8,8a,9,9a-Octahydro-5,8a-dimethyl-3-methylenenaphtho[2,3-b]furan-2(3H)-one		 91.67
C00012880 Diplophyllolide A
[3aS-(3aalpha,4aalpha,8abeta,9aalpha)]-3a,4,4a,7,8,8a,9,9a-Octahydro-5,8a-dimethyl-3-methylenenaphtho[2,3-b]furan-2(3H)-one		 91.67
C00020911 Ziniolide 91.67
C00020912 Xantholide A 91.67
C00020913 Xantholide B 91.67
C00021117 8-epi-Helenalin 90.00
C00013588 Lumiyomogin
(3aR,3bS,4aR,7aR,8aS)-3a,3b,4,4a,7a,8-Hexahydro-3a,3b-dimethyl-7-methylene-3H-cyclopenta[1,3]cyclopropa[1,2-f]benzofuran-3,6(7H)-dione		 89.74
C00003218 Aromaticin 89.47
C00003396 Xeratholide 89.47
C00012947 (+)-Graveolide
Graveolide
2,3-Dihydroaromaticin
[3aR-(3aalpha,4abeta,7aalpha,8alpha,9abeta)]-Decahydro-4a,8-dimethyl-3-methyleneazuleno[6,5-b]furan-2,5-dione		 89.47
C00020782 8-Deoxyrupicolin B
1alpha-Hydroxy-3,10(14),11(13)-guaiatrien-12,6alpha-olide		 89.47
C00020950 Achalensolide
8-Epixerantholide		 89.47
C00021698 8-epi-Isovangustin 89.47
C00021064 Damsinic acid 89.19
C00003240 Costunolide 88.89
C00012023 [3aR-(3aalpha,5beta,6alpha,7aalpha)]-6-Ethenylhexahydro-6-methyl-3-methylene-5-(1-methylethenyl)-2(3H)-benzofuranone 88.89
C00012024 Igalan
Elemasteriactinolide		 88.89
C00012170 Melampolide 88.89
C00012724 alpha-Costic acid
Eudesma-3,11(13)-dien-12-oic acid
[2R-(2alpha,4aalpha,8abeta)]-1,2,3,4,4a,5,6,8a-Octahydro-4a,8-dimethyl-alpha-methylene-2-naphthaleneacetic acid		 88.89
C00012899 [3aR-(3aalpha,4abeta,8aalpha,9aalpha)]-3a,4,4a,5,6,8a,9,9a-Octahydro-8a-methyl-3,5-bis(methylene)-naphtho[2,3-b]furan-2(3H)-one
1,2,4,15-Tetrahydro-4,5-dihydrosteiractinolide		 88.89
C00012900 Isoalantodiene
[3aR-(3aalpha,8abeta,9aalpha)]-3a,7,8,8a,9,9a-Hexahydro-5,8a-dimethyl-3-methylenenaphtho[2,3-b]furan-2(3H)-one		 88.89
C00012901 Alantodiene
(8aR-trans)-6,7,8,8a,9,9a-Hexahydro-5,8a-dimethyl-3-methylenenaphtho[2,3-b]furan-2(3H)-one		 88.89
C00020708 Grilactone 88.89
C00020905 [3R-(3alpha,3aalpha,4aalpha,9aalpha)]-3a,4,4a,7,9,9a-Hexahydro-3,5,8-trimethyl-azuleno[6,5-b]furan-2(3H)-one 88.89
C00020914 Elehirtanolide 88.89
C00021021 11beta,13-Dihydro-desoxo-achalensolide 88.89
C00045352 Mokko lactone 88.89
C00021077 Peruvinine 87.50
C00021123 Peruvin 87.50
C00021132 Deacetylisotenulin 87.50
C00021139 10alpha-Hydroxy-8-epi-confertin 87.50
C00020921 4alpha,5alpha-Epoxyinuviscolide 87.18
C00003205 Achillin 86.84
C00003237 Confertin 86.84
C00003244 Damsin 86.84
C00003248 Desacetoxymatricarin
Leucodin		 86.84
C00003345 Parthenolide 86.84
C00012912 Pinnatifidin (Helenium)
[3aR-(3aalpha,4aalpha,8abeta,9aalpha)]-3,3a,4,4a,8,8a,9,9a-Octahydro-5,8a-dimethyl-3-methylenepinnatifidin
Naphtho[2,3-b]furan-2,7-dione		 86.84
C00012914 Septuplinolide
[3aR-(3aalpha,4aalpha,5beta,8abeta,9aalpha)]-Decahydro-5-hydroxy-5,8a-dimethyl-3-methylenenaphtho[2,3-b]furan-2(3H)-one		 86.84
C00012920 [3aS-(3aalpha,4aalpha,8abeta,9aalpha)]- 3a,4,4a,7,8,8a,9,9a-Octahydro-4a-hydroxy-5,8a-dimethyl-3-methylenenaphtho[2,3-b]furan-2(3H)-one
ent-7alpha-Hydroxydipophyllolide		 86.84
C00012927 Inunal
[3aR-(3aalpha,4aalpha,8abeta,9aalpha)]-2,3,3a,4,4a,7,8,8a,9,9a-Decahydro-8a-methyl-3-methylene-2-oxonaphtho[2,3-b]furan-5-carboxaldehyde		 86.84
C00012932 [3aR-(3aalpha,4aalpha,6beta,8abeta,9aalpha)]-3a,4,4a,5,6,8a,9,9a-Octahydro-6-hydroxy-8a-methyl-3,5-bis(methylene)naphtho[2,3-b]furan-2(3H)-one 86.84
C00012943 [3aR-(3aalpha,4aalpha,5beta,8abeta,9aalpha)]-3a,4a,5,8a,9,9a-Hexahydro-5,8a-dimethyl-3-methylenenaphtho[2,3-b]furan-2,6(3H,4H)-dione 86.84
C00020346 Carabrone
Caropesia lactone		 86.84
C00020347 Carabrol
4-Dihydrocarabrone		 86.84
C00020419 Hypocretenolide 86.84
C00020720 Tannunolide D 86.84
C00020784 Preeupatundin
2beta-Hydroxy-8-desoxy-11alpha,13-dihydrorupicolin B		 86.84
C00020785 [3aS-(3aalpha,6aalpha,9beta,9aalpha,9bbeta)]-3a,4,5,6,6a,9,9a,9b-Octahydro-9-hydroxy-9-methyl-3,6-bis(methylene)-azuleno[4,5-b]furan-2(3H)-one 86.84
C00020833 Arbiglovin 86.84
C00020834 Carpesialactone 86.84
C00020922 10alpha,14H-1-epi-Inuviscolide 86.84
C00020925 [3aR-(3aalpha,5alpha,7aalpha,8alpha,9abeta)]-3a,5,6,7,7a,8,9,9a-Octahydro-5-hydroxy-5,8-dimethyl-3-methylene-azuleno[6,5-b]furan-2(3H)-one 86.84
C00020927 (-)-Helenium lactone 86.84
C00020934 1-EpiInuviscolide 86.84
C00020935 Inuviscolide 86.84
C00020937 8-Epiinuviscolide 86.84
C00020938 4,8-Dipiinuviscolide 86.84
C00020948 [3R-(3alpha,3aalpha,7abeta,8alpha,9aalpha)]-3,3a,7a,8,9,9a-Hexahydro-3,5,8-trimethyl-azuleno[6,5-b]furan-2,7-dione 86.84
C00020949 Thieleanine 86.84
C00020951 3-Oxo-4-guaien-12,8beta-olide 86.84
C00020953 Virginolide 86.84
C00021011 5alpha-Hydroxy-3,4-dihydroachalensolide 86.84
C00021022 5-Hydroxy-11beta,13-dihydroziniolide 86.84
C00021026 2-Oxo-desoxyligustrin 86.84
C00021140 Dihydroconfertin 86.84
C00021142 Neoambrosin 86.84
C00022660 4alpha-Hydroxy-1alpha,5alphaH-guaia-2,10(14),11(13)-trien-12,6alpha-olide 86.84
C00032152 Sinodielide C
(-)-Sinodielide C		 86.84
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