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


and

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




INPUT WORD = C00012700 , 50% or more
[ Metabolite Name : (+)-6alpha-Carissanol , 6alpha-Carissanol , [4aS-(4aalpha,7alpha,8beta)]-4,4a,5,6,7,8-Hexahydro-8-hydroxy-7-(1-hydroxy-1-methylethyl)-1,4a-dimethyl-2(3H)-naphthalenone ]
Number of matched data : 79

CID Metabolite Name Structural formula Metabolite Activity Similarity (%)
C00012701 (+)-6beta-Carissanol
[4aS-(4aalpha,7alpha,8alpha)]-4,4a,5,6,7,8-Hexahydro-8-hydroxy-7-(1-hydroxy-1-methylethyl)-1,4a-dimethyl-2(3H)-naphthalenone		 100.00
C00012695 (+)-alpha-Carissanol
alpha-Carissanol
[3R-(3alpha,4abeta,7beta)]-4,4a,5,6,7,8-hexahydro-3-hydroxy-7-(1-hydroxy-1-methylethyl)-1,4a-dimethyl-2(3H)-Naphthalenone		 97.30
C00012793 Isochenopotriol
[1S-(1alpha,2beta,4abeta,7alpha)]-1,2,3,4,4a,5,6,7-Octahydro-2-(1-hydroxy-1-methylethyl)-4a,8-dimethyl-1,7-naphthalenediol		 97.30
C00011660 Cryptomerone 94.59
C00012796 Chenopotriol
[1R-(1alpha,2beta,4abeta,7alpha,8aalpha)]-Decahydro-2-(1-hydroxy-1-methylethyl)-4a-methyl-8-methylene-1,7-naphthalenediol		 94.59
C00012797 [1R-(1alpha,2beta,4abeta,7beta,8aalpha)]-Decahydro-2-(1-hydroxy-1-methylethyl)-4a-methyl-8-methylene-1,7-naphthalenediol
3-epi-Chenopotriol		 94.59
C00013038 Magnolialide
Splendolide
[3aS-(3aalpha,5abeta,6beta,9bbeta)]-3a,4,5,5a,6,7,8,9b-Octahydro-6-hydroxy-5a,9-dimethyl-3-methylenenaphtho[1,2-b]furan-2(3H)-one		 92.11
C00013039 [3aS-(3aalpha,5aalpha,6alpha,9balpha)]- 3a,4,5,5a,6,7,8,9b-Octahydro-6-hydroxy-5a,9-dimethyl-3-methylenenaphtho[1,2-b]furan-2(3H)-one 92.11
C00013042 2alpha-Hydroxysphaerantholide
[3aS-(3aalpha,5abeta,7alpha,9balpha)]-3a,4,5,5a,6,7,8,9b-Octahydro-7-hydroxy-5a,9-dimethyl-3-methylenenaphtho[1,2-b]furan-2(3H)-one		 92.11
C00013049 [3aS-(3aalpha,5abeta,9balpha)]-3a,5a,6,7,8,9b-Hexahydro-5a,9-dimethyl-3-methylenenaphtho[1,2-b]furan-2,5(3H,4H)-dione
9-Oxotournefortiolide		 92.11
C00013054 Artesin
Artesin(terpene)
Artemalin
[3S-(3alpha,3aalpha,5abeta,6beta,9bbeta)]-3a,4,5,5a,6,7,8,9b-Octahydro-6-hydroxy-3,5a,9-trimethylnaphtho[1,2-b]furan-2(3H)-one		 92.11
C00013056 Rothin A
[3aR-(3aalpha,4alpha,5abeta,9bbeta)]-3a,4,5,5a,6,7,8,9b-Octahydro-4-hydroxy-5a,9-dimethyl-3-methylenenaphtho[1,2-b]furan-2(3H)-one		 92.11
C00030062 Curcarabranol A 91.89
C00030063 Curcarabranol B
(+)-Curcarabranol B		 91.89
C00033700 Carissone
(+)-Carissone		 91.89
C00034860 Indicumenone 91.89
C00043349 Canusesnol J
(-)-Canusesnol J		 91.89
C00043860 rel-1beta,3alpha,6beta-Trihydroxyeudesm-4-ene 91.89
C00013061 Dehydroisoerivanin
Alhanin
Alkhanin
[3S-(3alpha,3aalpha,5abeta,6alpha,9bbeta)]-3a,5,5a,6,7,9b-Hexahydro-6-hydroxy-3,5a,9-trimethylnaphtho[1,2-b]furan-2,8(3H,4H)-dione		 90.00
C00012769 Chenopotetraol
[1S-(1alpha,2alpha,4abeta,7beta,8alpha,8aalpha)]-Decahydro-7-(1-hydroxy-1-methylethyl)-1,4a-dimethyl-1,2,8-naphthalenetriol		 89.74
C00012770 [1S-(1alpha,2beta,4abeta,7beta,8alpha,8aalpha)]-Decahydro-7-(1-hydroxy-1-methylethyl)-1,4a-dimethyl-1,2,8-naphthalenetriol 89.74
C00003364 Santonin
Semenen
(-)-alpha-Santonin
(-)-Santonin
a-Santonin
[3S-(3alpha,3aalpha,5abeta,9bbeta)]-3a,5,5a,9b-Tetrahydro-3,5a,9-trimethylnaphtho[1,2-b]furan-2,8(3H,4H)-dione		 89.47
C00003365 beta-Santonin
[3R-(3alpha,3abeta,5aalpha,9balpha)]-3a,5,5a,9b-Tetrahydro-3,5a,9-trimethylnaphtho[1,2-b]furan-2,8(3H,4H)-dione		 89.47
C00012941 [3aS-(3aalpha,8abeta,9aalpha)]-3a,7,8,8a,9,9a-Hexahydro-5,8a-dimethyl-3-methylenenaphtho[2,3-b]furan-2,6(3H,4H)-dione
3-Oxodiplophyllin		 89.47
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		 89.47
C00013047 [3aS-(3aalpha,5beta,5abeta,9balpha)]-3a,4,5,5a,6,7,8,9b-Octahydro-5-hydroxy-5a,9-dimethyl-3-methylenenaphtho[1,2-b]furan-2(3H)-one
9beta-Hydroxytournefortiolide		 89.47
C00013080 alpha-Tetrahydro-alpha-santonin
alpha-Tetrahydrosantonin
Artepaulin
[3S-(3alpha,3aalpha,5abeta,9alpha,9aalpha,9bbeta)]-Octahydro-3,5a,9-trimethylnaphtho[1,2-b]furan-2,8(3H,4H)-dione		 89.47
C00020924 Dihydropseudoivalin 89.47
C00021697 8-epi-Ivangustin 89.47
C00043074 Tinocordifolin
(+)-Tinocordifolin		 89.47
C00000165 gamma-Eudesmol 89.19
C00003241 alpha-Cyclocostunolide 89.19
C00003287 (-)-Frullanolide
Tournefortiolide
[3aS-(3aalpha,5abeta,9balpha)]-3a,4,5,5a,6,7,8,9b-Octahydro-5a,9-dimethyl-3-methylenenaphtho[1,2-b]furan-2(3H)-one		 89.19
C00011378 2,10-Dihydroxy-2,6,10-trimethyl-3,6,11-dodecatrien-5-one 89.19
C00012180 Herbolide H 89.19
C00012187 (-)-Heliangolide
Heliangolide		 89.19
C00012188 Hispanolide 89.19
C00012388 Liabinolide 89.19
C00012415 [2alpha(Z),3alpha(E)]- 3-Methyl-4-[tetrahydro-3-(3-methyl-1,3-butadienyl)-4-methylene-5-oxo-2-furanyl]-2-butenal 89.19
C00012450 4,7,7,11-Tetramethyl-12-oxabicyclo[9.1.0]dodec-4-ene-3,6-diol
Fexerol		 89.19
C00012530 Rosulantol 89.19
C00012693 Heterophyllol
(4alpha,4aalpha,7alpha)-(+)-4,4a,5,6,7,8-hexahydro-4-hydroxy-7-[1-(hydroxymethyl)ethenyl]-1,4a-dimethyl-2(3H)-naphthalenone		 89.19
C00012698 [4aR-(4aalpha,5alpha,6beta,8abeta)]-4a,5,6,7,8,8a-Hexahydro-5-hydroxy-6-(1-hydroxy-1-methylethyl)-4,8a-dimethyl-2(1H)-naphthalenone 89.19
C00012759 (+)-alpha-Cyperone
Eudesma-4,11-dien-3-one
(4aS-cis)-4,4a,5,6,7,8-Hexahydro-1,4a-dimethyl-7-(1-methylethenyl)-2(3H)-naphthalenone		 89.19
C00012760 (+)-12-Hydroxy-alpha-cyperone
(4aS-cis)-4,4a,5,6,7,8-Hexahydro-7-[1-(hydroxymethyl)ethenyl]-1,4a-dimethyl-2(3H)-naphthalenone		 89.19
C00012773 Pigmol
Pygmol
[1R-(1alpha,4abeta,7beta,8alpha,8aalpha)]-Decahydro-7-(1-hydroxy-1-methylethyl)-1,4a-dimethyl-1,8-naphthalenediol		 89.19
C00012777 alpha-Chenopodiol
[1R-(1alpha,2beta,4abeta,8aalpha)]-1,2,3,4,4a,5,6,8a-octahydro-1-hydroxy-alpha,alpha,4a,8-tetramethyl-2-naphthalenemethanol		 89.19
C00012783 beta-Chenopodiol
4(14)-Eudesmene-6a,11-diol
[1R-(1alpha,2beta,4abeta,8aalpha)]-Decahydro-1-hydroxy-alpha,alpha,4a-trimethyl-8-methylene-2-naphthalenemethanol		 89.19
C00012798 Longilobol
(2alpha,3beta,4aalpha,8abeta)-(+)-Octahydro-3-(1-hydroxy-1-methylethyl)-8a-methyl-5-methylene-2,4a(2H)-naphthalenediol		 89.19
C00012818 (2R-trans)-3,4,4a,5,6,7-Hexahydro-2-hydroxy-4a,8-dimethyl-2-(1-methylethyl)-1(2H)-naphthalenone
7alpha-Hydroxyneoacolamone		 89.19
C00012836 3-Oxocostusic acid
(2R-cis)-1,2,3,4,4a,5,6,7-Octahydro-4a,8-dimethyl-alpha-methylene-7-oxo-2-naphthaleneacetic acid		 89.19
C00012886 [3R-(3alpha,3abeta,5aalpha,9balpha)]-3a,4,5,5a,6,7,8,9b-Octahydro-3,5a,9-trimethylnaphtho[1,2-b]furan-2(3H)-one 89.19
C00013031 (+)-Frullanolide
[3aR-(3aalpha,5abeta,9balpha)]-3a,4,5,5a,6,7,8,9b-Octahydro-5a,9-dimethyl-3-methylenenaphtho[1,2-b]furan-2(3H)-one		 89.19
C00013101 [1aR-(1aalpha,3abeta,6beta,8abeta,8balpha)]-Octahydro-3a,7,7,8b-tetramethyl-2H-6,8a-methanooxireno[i][1]benzoxepin 89.19
C00013102 [1aS-(1aalpha,3aalpha,6alpha,8aalpha,8balpha)]-Octahydro-3a,7,7,8b-tetramethyl-2H-6,8a-methanooxireno[i][1]benzoxepin 89.19
C00013226 Jasomontanone
[1S-(1a,2a,4aa)]-1,2,3,4,4a,5,6,7-Octahydro-1-hydroxy-4a,8-dimethyl-7-oxo-2-naphthalenecarboxylic acid methyl ester		 89.19
C00020138 10-Hydroxy-4-muurolen-3-one 89.19
C00020226 9-Oxoageraphorone 89.19
C00020227 9beta-Hydroxyageraphorone 89.19
C00020228 [1S-(1alpha,4alpha,4aalpha,8aalpha)]-1,3,4,4a,5,8a-Hexahydro-1-hydroxy-4,7-dimethyl-1-(1-methylethyl)-2,6-naphthalenedione 89.19
C00022015 Ligucyperonol 89.19
C00022681 11-Hydroxy-4,5-seco-eudesmane-4,5-dione 89.19
C00031162 Rhombitriol
(-)-Rhombitriol		 89.19
C00033144 Madolin I
(+)-Madolin I		 89.19
C00033470 Versicolactone B 89.19
C00034418 Artabin
(+)-Artabin		 89.19
C00036303 (+)-Dihydrofrullanolide 89.19
C00037033 Deoxyarteannuin B
Deoxyisoartemisinin C		 89.19
C00037054 Dihydrodeoxyarteannuin B 89.19
C00038751 Chlorantene G
(+)-Chlorantene G		 89.19
C00038809 Clypeotriol
(+)-Clypeotriol		 89.19
C00039824 Nardosinanol C
(-)-Nardosinanol C		 89.19
C00042884 Pulicanadienol
(+)-Pulicanadienol		 89.19
C00043340 Canusesnol A
(-)-Canusesnol A		 89.19
C00043344 Canusesnol E
(+)-Canusesnol E		 89.19
C00046798 Leitneridanin A
(+)-Leitneridanin A		 89.19
C00048255 1beta,4beta,6beta-Trihydroxyeudesmane 89.19
C00049304 Sootepdienone
(+)-Sootepdienone		 89.19
C00050285 Hydroxycolorenone 89.19
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