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


and

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





INPUT WORD = C00012023 , 50% or more
[ Metabolite Name : [3aR-(3aalpha,5beta,6alpha,7aalpha)]-6-Ethenylhexahydro-6-methyl-3-methylene-5-(1-methylethenyl)-2(3H)-benzofuranone ]
Number of matched data : 60

CID Metabolite Name Structural formula Metabolite Activity Similarity (%)
C00012024 Igalan
Elemasteriactinolide
100.00
C00012019 Isogermafurenolide 97.14
C00012020 Callitrin 97.14
C00012021 15-Hydroxyelemasteriactinolide 94.59
C00003306 Isoalantolactone
Isoallantolactone
Isohelenin
94.44
C00012878 [3R-(3alpha,3aalpha,4abeta,8aalpha,9aalpha)]-Decahydro-3,8a-dimethyl-5-methylenenaphtho[2,3-b]furan-2(3H)-one
Dihydroallitrisin
94.44
C00012887 Asterolide
Atractylenolide II
[4aS-(4aalpha,8abeta,9abeta)]-4a,5,6,7,8,8a,9,9a-Octahydro-3,8a-dimethyl-5-methylenenaphtho[2,3-b]furan-2(4H)-one
94.44
C00012888 8-Epiasterolide
[4aS-(4aalpha,8abeta,9aalpha)]-4a,5,6,7,8,8a,9,9a-Octahydro-3,8a-dimethyl-5-methylenenaphtho[2,3-b]furan-2(4H)-one
94.44
C00012892 Neoalantolactone 94.44
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
94.44
C00013033 Critonilide
[3aR-(3aalpha,5aalpha,9abeta,9balpha)]-Decahydro-5a-methyl-3,9-bis(methylene)naphtho[1,2-b]furan-2(3H)-one
94.44
C00013034 (+)-beta-Frullanolide
[3aR-(3aalpha,5abeta,9aalpha,9balpha)]-Decahydro-5a-methyl-3,9-bis(methylene)naphtho[1,2-b]furan-2(3H)-one
94.44
C00021013 5,10-bis-epi-Isoalantolactone 94.44
C00012727 Costic acid
Costus acid
94.29
C00023359 3beta,8beta,15-Trihydroxy-ent-labda-13E-ene 94.29
C00003310 Ivalin
[3aR-(3aalpha,4aalpha,7alpha,8abeta,9aalpha)]-Decahydro-7-hydroxy-8a-methyl-3,5-bis(methylene)-naphtho[2,3-b]furan-2(3H)-one
92.11
C00012913 (+)-Isotelekin
Isotelekin
92.11
C00012914 Septuplinolide
[3aR-(3aalpha,4aalpha,5beta,8abeta,9aalpha)]-Decahydro-5-hydroxy-5,8a-dimethyl-3-methylenenaphtho[2,3-b]furan-2(3H)-one
92.11
C00012022 [3R-(3alpha,3aalpha,5alpha,6beta,7aalpha)]-6-Ethenylhexahydro-5-[1-(hydroxymethyl)ethenyl]-3,6-dimethyl-(3H)-benzofuranone 91.89
C00012036 Hydroxyisogermafurenolide 91.89
C00013574 13-Deoxyisoonoceriolide
[3aR-(3aalpha,4abeta,5abeta,6abeta,6balpha,7aalpha)]-Decahydro-6b-methyl-3,5-bis(methylene)cycloprop[2,3]indeno[5,6-b]furan-2(3H)-one
91.89
C00013579 Geigeranolide
(3aR,4aR,4bR,5aR,6aR,7aR)-Decahydro-4b,6a-dimethyl-3-methylenecycloprop[1,2]indeno[5,6-b]furan-2(3H)-one
91.89
C00013582 11beta,13-Dihydrogeigeranolode
[3R-(3alpha,3aalpha,4aalpha,4bbeta,5abeta,6abeta,7aalpha)]-Decahydro-3,4b,6a-trimethylcycloprop[1,2]indeno[5,6-b]furan-2(3H)-one
91.89
C00016961 Shizukanolide
Shizukanolide A
91.89
C00039842 Nepalensolide A 91.89
C00003242 (+)-beta-Cyclocostunolide
beta-Cyclocostunolide[3aS-(3aalpha,5abeta,9aalpha,9bbeta)]-Decahydro-5a-methyl-3,9-bis(methylene)-naphtho[1,2-b]furan-2(3H)-one
91.67
C00003245 Dehydrocostus lactone 91.67
C00003258 Eremofrullanolide 91.67
C00003259 Eremophilenolide
Eremophylenolide
91.67
C00012877 Callitrisin
[3R-(3alpha,3aalpha,4abeta,8aalpha,9aalpha)]-3a,4,4a,5,6,8a,9,9a-Octahydro-3,8a-dimethyl-5-methylenenaphtho[2,3-b]furan-2(3H)-one
91.67
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
C00012881 1-Deoxyivangustin
Alloalantolactone
[3aR-(3aalpha,8abeta,9aalpha)]-3a,4,6,7,8,8a,9,9a-Octahydro-5,8a-dimethyl-3-methylenenaphtho[2,3-b]furan-2(3H)-one
91.67
C00012885 (-)-Diplophyllin
Diplophyllin
[3aS-(3aalpha,8abeta,9aalpha)]-3a,4,6,7,8,8a,9,9a-Octahydro-5,8a-dimethyl-3-methylenenaphtho[2,3-b]furan-2(3H)-one
91.67
C00012897 Lindestrenolide
[4aS-(4aalpha,8abeta,9abeta)]-4a,5,6,8a,9,9a-Hexahydro-3,8a-dimethyl-5-methylenenaphtho[2,3-b]furan-2(4H)-one
91.67
C00012901 Alantodiene
(8aR-trans)-6,7,8,8a,9,9a-Hexahydro-5,8a-dimethyl-3-methylenenaphtho[2,3-b]furan-2(3H)-one
91.67
C00013032 [3aR-(3aalpha,5abeta,9abeta,9bbeta)]-Decahydro-5a-methyl-3,9-bis(methylene)naphtho[1,2-b]furan-2(3H)-one
ent-cis-beta-Cyclocostunolide
91.67
C00013035 Morifolin B
[3aS-(3aalpha,5aalpha,9aalpha,9bbeta)]-Decahydro-5a-methyl-3,9-bis(methylene)naphtho[1,2-b]furan-2(3H)-one
91.67
C00017336 Tetrahydroligularenolide 91.67
C00017337 Dihydroeremofrullanolide 91.67
C00020709 Osmitopsin 91.67
C00020914 Elehirtanolide 91.67
C00021012 [3aR-(3aalpha,4abeta,5beta,9aalpha)]-3a,4,4a,5,6,7,8,9a-Octahydro-4a,5-dimethyl-3-methylene-naphtho[2,3-b]furan-2(3H)-one 91.67
C00021714 (4S,5S,7R,8R)-9,11(13)-Ratibidadien-12,8-olide 91.67
C00021715 (4S,5S,7R,8R)-10(14),11(13)-Ratibidadien-12,8-olide 91.67
C00037050 Dihydro-beta-Cyclocostunolide 91.67
C00003240 Costunolide 91.43
C00003292 Glechomanolide 91.43
C00012000 8alpha,11-Elemadiol 91.43
C00012006 Saussurea lactone
(all-S)-Hexahydro-7-isopropenyl-3,6-dimethyl-6-vinyl-2(3H)-benzofuranone
91.43
C00012170 Melampolide 91.43
C00012722 7-Hydroxy-beta-costol
(+)-7-Hydroxycostol
Petrovin B
[2S-(2alpha,4abeta,8aalpha)]-Decahydro-2-hydroxy-4a-methyl-b,8-bis(methylene)-2-naphthaleneethanol
91.43
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
91.43
C00012785 Arctiol
[2S-(2alpha,3beta,4aalpha,8abeta)]-Decahydro-3-hydroxy-alpha,alpha,4a-trimethyl-8-methylene-2-naphthalenemethanol
91.43
C00012786 Kudtdiol
[2R-[2alpha(R*),4aalpha,8abeta]]-2-(Decahydro-4a-methyl-8-methylene-2-naphthalenyl)-1,2-propanediol
91.43
C00012792 Ilicic alcohol
Iliciol
[2R-(2alpha,4aalpha,8beta,8abeta)]-Decahydro-8-hydroxy-4a,8-dimethyl-b-methylene-2-naphthaleneethanol
91.43
C00020401 Watsonol A 91.43
C00021705 Germacrene-D-lactone 91.43
C00033140 Madolin E
(+)-Madolin E
91.43
C00049951 4alpha-Hydroxyeudesm-11-en-12-al 91.43
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