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


and

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




INPUT WORD = C00012950 , 50% or more
[ Metabolite Name : (-)-Stylotelline , Stylotelline , [1R-(1alpha,4abeta,8aalpha)]-1,2,3,4,4a,5,6,8a-Octahydro-8a-isocyano-1,4a-dimethyl-7-propylnaphthalene ]
Number of matched data : 154

CID Metabolite Name Structural formula Metabolite Activity Similarity (%)
C00021644 Acanthisonitrile 3 91.43
C00012788 (-)-Oplodiol
Oplodiol
[1S-(1alpha,4alpha,4aalpha,8abeta)]-1,2,3,4,4a,5,8,8a-Octahydro-1,4a-dimethyl-7-(1-methylethyl)-1,4-naphthalenediol		 85.71
C00012822 (1alpha,2beta,4aalpha,8aalpha)-Decahydro-1-isocyano-4a-methyl-8-methylene-2-(1-methylethyl)-naphthalene
6-Isocyano-4(15)-eudesmene		 85.71
C00013550 Axisonitrile 1
(1R,3aR,7aR)-Octahydro-1-[(1S)-1-isocyano-2-methylpropyl]-3a-methyl-7-methylene-1H-indene		 85.71
C00049777 4alpha-Isocyanogorgon-11-ene 85.71
C00012890 Isoasterolide A
[3R-(3alpha,4aalpha,8abeta)]-4,4a,5,6,7,8,8a,9-Octahydro-3,8a-dimethyl-5-methylenenaphtho[2,3-b]furan-2(3H)-one		 83.33
C00012891 Isoasterolide B
[3S-(3alpha,4abeta,8aalpha)]-4,4a,5,6,7,8,8a,9-Octahydro-3,8a-dimethyl-5-methylenenaphtho[2,3-b]furan-2(3H)-one		 83.33
C00003168 Patchouli alcohol 82.86
C00011584 Striatenone 82.86
C00011921 3-Isocyanotheonellin
Theonellin isocyanide		 82.86
C00012682 Acanthellin 1
[1S-(1alpha,2beta,4abeta,8alpha,8aalpha)]-Decahydro-1-isocyano-4a,8-dimethyl-2-(1-methylethenyl)naphthalene		 82.86
C00012690 [1R-(1alpha,4alpha,4aalpha,8abeta)]-4-Bromo-1,2,3,4,4a,5,8,8a-octahydro-1,4a-dimethyl-7-(1-methylethyl)-1-naphthalenol 82.86
C00012727 Costic acid
Costus acid		 82.86
C00012749 (+)-beta-Costol
(+)-Costol
beta-Costol
Sesquibenihiol
Eudesma-4(14),11(13)-dien-12-ol
[2R-(2alpha,4aalpha,8abeta)]-Decahydro-4a-methyl-b,8-bis(methylene)-2-naphthaleneethanol		 82.86
C00012750 (+)-Costal
Costic aldehyde
(+)-beta-Costal
Eudesma-4(14),11(13)-dien-12-al		 82.86
C00012811 Selin-6-en-4alpha-ol
[1R-(1alpha,4abeta,8aalpha)]-1,2,3,4,4a,5,6,8a-Octahydro-1,4a-dimethyl-7-(1-methylethyl)-1-naphthalenol		 82.86
C00020129 (+)-Sclerosporal 82.86
C00021424 Aphanamol II 82.86
C00021425 Aphanamol I 82.86
C00021871 Ishwarane 82.86
C00021924 Isohimachalone 82.86
C00022013 1,5,8,8-Tetramethyl-8-bicyclo[8.1.0]undecene-2,9-diol 82.86
C00023359 3beta,8beta,15-Trihydroxy-ent-labda-13E-ene 82.86
C00035570 Cyclosantalal 82.86
C00035608 epi-Cyclosantalal
Epicyclosantalal		 82.86
C00036989 Cyclomyltaylenol 82.86
C00037527 CID is old! 82.86
C00039328 Halichonadin C
(-)-Halichonadin C		 82.86
C00040487 Thujopsenol 82.86
C00047559 Schisanwilsonene C
(+)-Schisanwilsonene C		 82.86
C00021645 Acanthisothiocyanate 3 81.08
C00038288 5-Bromo-2,3-dihydroxy-6-methoxybenzaldehyde 81.08
C00046103 Macrophyllic acid B
(-)-Macrophyllic acid B		 81.08
C00046104 Macrophyllic acid C
(+)-Macrophyllic acid C		 81.08
C00000465 (3E)-Obtusenyne 80.56
C00003252 Drimenin 80.56
C00020289 Cinnamolide 80.56
C00021242 Axisonitrile 2 80.56
C00021289 Patchoulan-1,12-diol 80.56
C00021881 Hinokiic acid
Thujopsenic acid
Widdrenic acid		 80.56
C00021977 2-Isocyanopupukeanane 80.56
C00021978 9-Isocyanopupukeanane 80.56
C00021979 9-epi-9-Isocyanopupukeanane 80.56
C00031479 [(2E,4E)-Dodecadienoyl]-pyrrolidine 80.56
C00041624 Lepadiformine C 80.56
C00003182 cis-alpha-Santalol
alpha-Santalol		 80.00
C00003183 beta-Santalol
(E)-beta-Santalol		 80.00
C00003185 Seiricardine A 80.00
C00003194 Thujopsene
Sesquichamene
Widdrene		 80.00
C00011435 Ageraborniol 80.00
C00011520 Chokol B 80.00
C00011544 Ancistrodial 80.00
C00012011 delta-Elemene 80.00
C00012016 delta-Elemenol
(S,S,S)-(-)-6-Isopropenyl-1-vinyl-p-menth-4-en-2-ol		 80.00
C00012017 Epi-delta-elemenol 80.00
C00012018 (-)-beta-Elemenal
(-)-Elema-1,3,11(13)-trien-12-al		 80.00
C00012445 Humulene epoxide III
Humulene oxide III		 80.00
C00012448 [1S-(1R*,4Z,6R*,11S*)]-4,7,7,11-Tetramethyl-12-oxabicyclo[9.1.0]dodec-4-en-6-ol 80.00
C00012455 beta-Humulene 80.00
C00012463 (+)-Humulenol II
Humulenol
Humulenol II		 80.00
C00012467 Zerumbone 80.00
C00012503 (+)-Bicyclohumulenone
Bicyclohumulenone
[1S-(1R*,5E,10R*)]-1,5,8,8-tetramethylbicyclo[8.1.0]undec-5-en-2-one		 80.00
C00012722 7-Hydroxy-beta-costol
(+)-7-Hydroxycostol
Petrovin B
[2S-(2alpha,4abeta,8aalpha)]-Decahydro-2-hydroxy-4a-methyl-b,8-bis(methylene)-2-naphthaleneethanol		 80.00
C00012743 (+)-gamma-Costal
gamma-Costal
Iso-beta-costal
(2R-cis)- 1,2,3,4,4a,5,6,7-Octahydro-4a,8-dimethyl-alpha-methylene-2-naphthaleneacetaldehyde		 80.00
C00012765 Cryptomeridiol
Proximadiol
Selina-4,7-diol
Selinane-4alpha,11-diol		 80.00
C00012766 (-)-10-epi-5beta,11-Dihydroxyeudesmane
[2R-(2alpha,4abeta,8alpha,8aalpha)]-Decahydro-8a-hydroxy-a,a,4a,8-tetramethyl-2-naphthalenemethanol		 80.00
C00012789 2-(1,4,4a,5,6,7,8,8a-Octahydro-4a,8-dimethyl-2-naphthalenyl)-1,2-propanediol 80.00
C00012790 alpha-Corymbolol
1,[1S-(1alpha,4beta,4aalpha,6beta,8abeta)]-Octahydro-4,8a-dimethyl-6-(1-methylethenyl)-4a(2H)-naphthalenediol		 80.00
C00012791 Corymbolone
[4S-(4alpha,4abeta,6alpha,8aalpha)]-Octahydro-4a-hydroxy-4,8a-dimethyl-6-(1-methylethenyl)-1(2H)-naphthalenone		 80.00
C00012792 Ilicic alcohol
Iliciol
[2R-(2alpha,4aalpha,8beta,8abeta)]-Decahydro-8-hydroxy-4a,8-dimethyl-b-methylene-2-naphthaleneethanol		 80.00
C00012804 Eudesm-4(15)-en-5-ol
[3R-(3alpha,4abeta,8aalpha)]-Octahydro-8a-methyl-5-methylene-3-(1-methylethyl)-4a(2H)-naphthalenol		 80.00
C00012828 (3R-trans)-2,3,4,4a,5,6-Hexahydro-3-hydroxy-4a-methyl-7-(1-methylethyl)-1-naphthalenecarboxaldehyde 80.00
C00012846 (+)-Stemonolone
(4aS-trans)-4a,7,8,8a-Tetrahydro-8a-hydroxy-4a-methyl-8-methylene-2-(1-methylethyl)-1(4H)-naphthalenone		 80.00
C00012937 Atractylol
Atractylon
Atractyloxide
4,4aalpha,5,6,7,8,8a,9-Octahydro-3,8alphabeta-dimethyl-5-methylenenaphtho[2,3-b]furan		 80.00
C00013103 Deoxybaimuxinol
Dihydro-beta-agarofuran
trans-Dihydroagarofuran
[3R-(3alpha,5aalpha,9alpha,9aalpha)]-Octahydro-2,2,5a,9-tetramethyl-2H-3,9a-methano-1-benzoxepin		 80.00
C00013551 Axisonitrile 4
(1R,3aR,7aR)-Octahydro-1-(1-isocyano-2-methyl-1-propenyl)-3a-methyl-7-methylene-1H-indene		 80.00
C00013554 [1R-(1alpha,3abeta,4beta,7aalpha)]-Octahydro-3a-methyl-7-methylene-1-(2-methyl-2-propenyl)-1H-inden-4-ol 80.00
C00013583 (-)-Lindenene
(4aS,5aS,6aR,6bS)-4,4a,5,5a,6,6a,6b,7-Octahydro-3,6b-dimethyl-5-methylenecycloprop[2,3]indeno[5,6-b]furan		 80.00
C00013589 Ent-maaliane-5-ol
(1aS,3aR,7S,7aS,7bR)-Decahydro-1,1,3a,7-tetramethyl-7aH-cyclopropa[a]naphthalen-7a-ol		 80.00
C00016965 (+)-beta-Gorgonene
beta-Gorgonen
beta-Gorgonene		 80.00
C00017291 9-Oxo-1(10),11(13)-eremophiladien-12-al 80.00
C00017478 Kanshone A 80.00
C00017514 Kanokonol
14-Hydroxyvaleranone		 80.00
C00018441 Callicarpenal 80.00
C00020134 gamma-Muurolen-15-oic acid 80.00
C00020275 Drimanol
8beta-Drimanol		 80.00
C00020303 Euryfuran 80.00
C00020348 Precarabrone 80.00
C00020401 Watsonol A 80.00
C00021280 Cyperenol 80.00
C00021282 Cyperenal 80.00
C00021283 Cyperene 80.00
C00021284 Cyperotundone
Isopatchoulenone		 80.00
C00021285 3-Isopatchoulene 80.00
C00021340 beta-Pinguisenediol 80.00
C00021380 Daucene 80.00
C00021384 CAF-603 80.00
C00021432 Perforenone B 80.00
C00021436 Tamariscol 80.00
C00021648 Axisonitrile 3 80.00
C00021711 Laurenone A 80.00
C00021762 Khusenol
Tricyclovetivenol		 80.00
C00021763 Zizanal 80.00
C00021770 Prezizanol 80.00
C00021771 Allokhusiol
Jinkohol		 80.00
C00021796 Ceratopicanol 80.00
C00021827 Presilphiperfolanol 80.00
C00021849 (+)-alpha-Santalan-12-one 80.00
C00021853 (E)-alpha-Santalal
alpha-Santal-10-en-12-al		 80.00
C00021854 alpha-Santalone 80.00
C00021857 (E)-beta-Santalal 80.00
C00021858 Clausantalene 80.00
C00021859 (+)-Cyclosativene
Cyclosativene		 80.00
C00021860 (-)-Sativene
Sativene		 80.00
C00021872 Ishwarol 80.00
C00021873 Ishwarone 80.00
C00021875 Isoishwarone
endo-Isoishwarone		 80.00
C00021878 Rotundenol 80.00
C00021933 Microcionin 1 80.00
C00021968 alpha-Caryophyllene alcohol
11-Apollanol		 80.00
C00021972 Dipterol 80.00
C00021982 Italicene 80.00
C00021985 Myltaylenol
(-)-Myltaylenol		 80.00
C00021999 Seychellene 80.00
C00022000 Sesquithuriferone 80.00
C00022022 Cycloseychellene 80.00
C00022645 Medhephenepoxide 80.00
C00030077 Cyclomyltaylane-5beta-ol 80.00
C00032374 Artemisinic alcohol
trans-Arteannuic alcohol		 80.00
C00033674 beta-Copaen-4-alpha-ol 80.00
C00034367 12-Hydroxywiddrol
(+)-12-Hydroxywiddrol		 80.00
C00036291 (-)-Tamariscol 80.00
C00036292 (-)-trans-Selina-4(15),11-dien-5-ol 80.00
C00036991 Cypera-2,4-diene
(-)-Cypera-2,4-diene		 80.00
C00037617 Petasitene
(-)-Petasitene		 80.00
C00037935 Trifarienol A
(+)-Trifarienol A		 80.00
C00037936 Trifarienol B
(-)-Trifarienol B		 80.00
C00037939 Trifarienol E 80.00
C00037985 Verticillatol
(-)-Verticillatol		 80.00
C00038063 (+)-(10S)-Bromo-beta-chamigrene 80.00
C00038725 Chaenocephalol 80.00
C00039450 Isopolygodial
(-)-Isopolygodial		 80.00
C00040179 Rupestrenol
(+)-Rupestrenol		 80.00
C00040601 Undeca-2E,7Z,9E-trienoic acid isobutylamide
2E,7Z,9E-Undecatrienoic acid-N-isobutylamide		 80.00
C00042098 2R-(Z)-Campherene-2,13-diol
(-)-2R-(Z)-Campherene-2,13-diol		 80.00
C00042223 alpha-Santalen-11-one 80.00
C00042280 beta-Santaldiol
(-)-beta-Santaldiol		 80.00
C00042579 Heptadecanal 80.00
C00045568 4,13-Dimethyltetradecanoic acid 80.00
C00045988 Halaminol A
(+)-Halaminol A		 80.00
C00046725 Durissimol A
(+)-Durissimol A		 80.00
C00048301 8-Heptadecene 80.00
C00049951 4alpha-Hydroxyeudesm-11-en-12-al 80.00
C00050396 Pogostol O-methyl ether
(-)-Pogostol O-methyl ether		 80.00
Page Top