"Twins" retrives similar metabolites in chemical structure. |
last update : 2020.01.06 |
INPUT WORD = C00012836 , 50% or more | |
[ Metabolite Name : 3-Oxocostusic acid , (2R-cis)-1,2,3,4,4a,5,6,7-Octahydro-4a,8-dimethyl-alpha-methylene-7-oxo-2-naphthaleneacetic acid ] | |
Number of matched data : 59 |
CID | Metabolite Name | Structural formula | Metabolite Activity | Similarity (%) |
---|---|---|---|---|
C00012693 | Heterophyllol (4alpha,4aalpha,7alpha)-(+)-4,4a,5,6,7,8-hexahydro-4-hydroxy-7-[1-(hydroxymethyl)ethenyl]-1,4a-dimethyl-2(3H)-naphthalenone |
97.30 | C00012835 | [2R-(2alpha,4aalpha,7alpha)]-1,2,3,4,4a,5,6,7-Octahydro-7-hydroxy-4a,8-dimethyl-alpha-methylene-2-naphthaleneacetic acid | 97.30 | 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 |
94.74 | 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 |
94.74 | 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 | 94.74 | 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 |
94.74 | 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 |
94.74 | 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 |
94.74 | C00021697 | 8-epi-Ivangustin | 94.74 | C00012731 | Viscic acid 3alpha-Hydroxycostic acid [2R-(2alpha,4aalpha,7beta,8abeta)]-Decahydro-7-hydroxy-4a-methyl-alpha,8-bis(methylene)-2-naphthaleneacetic acid |
94.59 | C00012760 | (+)-12-Hydroxy-alpha-cyperone (4aS-cis)-4,4a,5,6,7,8-Hexahydro-7-[1-(hydroxymethyl)ethenyl]-1,4a-dimethyl-2(3H)-naphthalenone |
94.59 | C00012839 | (2S-cis)-1,2,3,4,4a,5,6,7-Octahydro-4a,8-dimethyl-alpha-methylene-4-oxo-2-naphthaleneacetic acid | 94.59 | C00012840 | cis-1,2,3,4,4a,5,6,7-Octahydro-8-(hydroxymethyl)-4a-methyl-alpha-methylene-2-naphthaleneacetic acid | 94.59 | C00036562 | 3-Oxoisocostic acid | 94.59 | C00036670 | 9beta-Acetoxyeudesma-4,11(13)-dien-12-oic acid | 94.59 | C00012884 | [3aR-(3aalpha,8abeta,9aalpha)]-3a,7,8,8a,9,9a-Hexahydro-5-(hydroxymethyl)-8a-methyl-3-methylenenaphtho[2,3-b]furan-2,6(3H,4H)-dione | 92.50 | 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 |
92.50 | C00013062 | 1-epi-Ludovicin C Armexifolin [3aS-(3aalpha,5abeta,6beta,9bbeta)]-3a,5,5a,6,7,9b-Hexahydro-6-hydroxy-5a,9-dimethyl-3-methylenenaphtho[1,2-b]furan-2,8(3H,4H)-dione |
92.50 | 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 |
92.11 | 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 |
92.11 | C00012911 | Ivangustin | 92.11 | C00012928 | [3aR-(3aalpha,8abeta,9aalpha)]-3a,4,6,7,8,8a,9,9a-Octahydro-5-(hydroxymethyl)-8a-methyl-3-methylenenaphtho[2,3-b]furan-2(3H)-one | 92.11 | C00012930 | [3aR-(3aalpha,8abeta,9aalpha)]-2,3,3a,4,6,7,8,8a,9,9a-Decahydro-8a-methyl-3-methylene-2-oxonaphtho[2,3-b]furan-5-carboxaldehyde Isoinunal |
92.11 | C00012931 | [3R-(3alpha,3aalpha,4aalpha,5beta,6alpha,8abeta,9aalpha)]-Decahydro-6-hydroxy-3,5,8a-trimethylnaphtho[2,3-b]furan-2(3H)-one 3-Hydroxy-12,8-eudesmanolide |
92.11 | C00012942 | (-)-Yomogin [3aR-(3aalpha,8abeta,9aalpha)]-3a,8a,9,9a-Tetrahydro-5,8a-dimethyl-3-methylenenaphtho[2,3-b]furan-2,6(3H,4H)-dione |
92.11 | 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 |
92.11 | 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 |
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 | 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 |
92.11 | C00021277 | 3-Oxo-4,11(13)-ivaxallaradien-12-oic acid | 92.11 | C00022674 | 14-Hydroxy-desoxyivangustin | 92.11 | C00003241 | alpha-Cyclocostunolide | 91.89 | 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 |
91.89 | C00012022 | [3R-(3alpha,3aalpha,5alpha,6beta,7aalpha)]-6-Ethenylhexahydro-5-[1-(hydroxymethyl)ethenyl]-3,6-dimethyl-(3H)-benzofuranone | 91.89 | C00012180 | Herbolide H | 91.89 | C00012181 | [3aS-(3aR*,5E,7R*,10E,11aR*)]-3a,4,7,8,9,11a-Hexahydro-7-hydroxy-6,10-dimethyl-3-methylenecyclodeca[b]furan-2(3H)-one | 91.89 | C00012187 | (-)-Heliangolide Heliangolide |
91.89 | C00012188 | Hispanolide | 91.89 | C00012388 | Liabinolide | 91.89 | C00012415 | [2alpha(Z),3alpha(E)]- 3-Methyl-4-[tetrahydro-3-(3-methyl-1,3-butadienyl)-4-methylene-5-oxo-2-furanyl]-2-butenal | 91.89 | C00012726 | (+/-)-Isocostic acid Isocostic acid cis-1,2,3,4,4a,5,6,7-Octahydro-4a,8-dimethyl-alpha-methylene-2-naphthaleneacetic acid |
91.89 | C00012728 | [2S-(2alpha,4alpha,4aalpha,8abeta)]-Decahydro-4-hydroxy-4a-methyl-a,8-bis(methylene)-2-naphthaleneacetic acid 9beta-Hydroxycostic acid |
91.89 | C00012829 | [2R-(2alpha,4aalpha,5beta,8abeta)]-Decahydro-5-hydroxy-4a-methyl-a,8-bis(methylene)-2-naphthaleneacetic acid | 91.89 | C00012832 | Decahydro-5-hydroxy-alpha,4a-dimethyl-8-methylene-2-naphthaleneacetic acid 1lapha-Hydroxy-4(15)-eudesmen-12-oic acid |
91.89 | C00012833 | 2-Hydroxyisocostic acid | 91.89 | 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 |
91.89 | 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 |
91.89 | 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 | 91.89 | C00012901 | Alantodiene (8aR-trans)-6,7,8,8a,9,9a-Hexahydro-5,8a-dimethyl-3-methylenenaphtho[2,3-b]furan-2(3H)-one |
91.89 | 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 |
91.89 | C00017521 | Arteannuic acid Artemisic acid Artemisinic acid Artemisininic acid Qing Hau acid |
91.89 | C00020427 | Pechueloic acid | 91.89 | C00022015 | Ligucyperonol | 91.89 | C00030130 | Dihydroartemisinic acid (-)-Dihydroartemisinic acid |
91.89 | C00034418 | Artabin (+)-Artabin |
91.89 | C00036303 | (+)-Dihydrofrullanolide | 91.89 | C00037033 | Deoxyarteannuin B Deoxyisoartemisinin C |
91.89 | C00037054 | Dihydrodeoxyarteannuin B | 91.89 | C00038288 | 5-Bromo-2,3-dihydroxy-6-methoxybenzaldehyde | 91.89 |