"Twins" retrives similar metabolites in chemical structure. |
last update : 2020.01.06 |
INPUT WORD = C00012795 , 50% or more | |
[ Metabolite Name : [1R-(1alpha,2beta,4abeta,5beta,6beta,8aalpha)]-Decahydro-8a-methyl-4-methylene-6-(1-methylethyl)-1,2,5-naphthalenetriol 1,2-diacetate 5-benzoate ] | |
Number of matched data : 51 |
CID | Metabolite Name | Structural formula | Metabolite Activity | Similarity (%) |
---|---|---|---|---|
C00012794 | Ivanuol [1R-(1alpha,2beta,4abeta,5beta,6beta,8aalpha)]-Decahydro-8a-methyl-4-methylene-6-(1-methylethyl)-1,2,5-naphthalenetriol 2-acetate 5-benzoate |
90.91 | C00024033 | Scoparic acid A | 89.39 | C00030526 | Isofeterin | 88.06 | C00045041 | Reissantin D | 88.06 | C00024034 | Scoparic Acid B | 87.88 | C00024035 | Scoparic Acid C | 87.88 | C00034468 | Coladin | 87.88 | C00037663 | Polyanthin (-)-Polyanthin |
87.88 | C00045063 | Scopanolal (-)-Scopanolal |
87.88 | C00048067 | Polyanthinin (-)-Polyanthinin |
87.88 | C00045042 | Reissantin E | 87.67 | C00000896 | Scopadulin | 86.76 | C00013098 | Vernodesmin [3aR-(3aalpha,4alpha,5aalpha,6beta,9beta,9aalpha,9bbeta,12R*)]-Octahydro-6,12-dihydroxy-3-methylene-2-oxo-9-phenyl-6H-5a,9-propano-2H-furo[2,3-f][2]benzopyran-4-yl ester 2-methyl-2-propenoic acid |
86.76 | C00048489 | Neocaesalpin Q (+)-Neocaesalpin Q |
86.76 | C00022744 | Scoparinol | 86.36 | C00030524 | iso-Dulcinol | 86.36 | C00040565 | Triptogelin G-2 | 86.36 | C00050368 | Insulicolide A (-)-Insulicolide A |
86.36 | C00013170 | [3R-(3alpha,4beta,5alpha,5aalpha,6alpha,9beta,9aalpha,10R*)]-Octahydro-2,2,5a,9-tetramethyl-, 5,10-diacetate 6-benzoate H-3,9a-methano-1-benzoxepin-4,5,6,9,10-pentol | 86.30 | C00013188 | [3R-[3alpha,5beta,5aalpha,6alpha(E),7alpha,9alpha,9aalpha]]-5,7-bis(Acetyloxy)octahydro-2,2,5a,9-tetramethyl-2H-3,9a-methano-1-benzoxepin-6-yl ester 3-phenyl-2-propenoic acid | 86.30 | C00036773 | Assafoetidnol B (+)-Assafoetidnol B |
85.51 | C00029527 | 4-epi-Scopadulcic acid B | 85.29 | C00042033 | 10-Deacetyltaxuyunnanine C (+)-10-Deacetyltaxuyunnanine C |
85.29 | C00013200 | Mortonin B (5alpha,5aalpha,6alpha,7beta,9beta,9aalpha)-7-(Acetyloxy)-6-(benzoyloxy)-5,5a,6,7,8,9-hexahydro-9-hydroxy-2,2,5a,9-tetramethyl-2H-5,9a-(epoxymethano)-1-benzoxepin-10-one |
85.07 | C00020035 | Ferocolicin | 85.07 | C00012476 | 6,10,10-Trimethylspiro[bicyclo[7.2.0]undec-5-ene-2,2'-oxirane]-4,8-diol 4-acetate 8-benzoate | 84.85 | C00012953 | [3aR-[3aalpha,4alpha(E),6beta,8alpha,8aalpha,9aalpha]]-6,8-bis(Acetyloxy)-2,3,3a,4,6,7,8,8a,9,9a-decahydro-5,8a-dimethyl-3-methylene-2-oxonaphtho[2,3-b]furan-4-yl ester 2-methyl-2-butenoic acid | 84.85 | C00016080 | (+)-Hongoquercin B Hongoquercin B |
84.85 | C00020368 | Tenuferinin | 84.85 | C00021349 | 8-Coumaroyloxy-14-thapsanol | 84.85 | C00021383 | Pallidin (sesquiterpene) | 84.85 | C00021748 | Proustianol angelicate | 84.85 | C00028360 | Huperserratinine | 84.85 | C00040185 | Salicylihalamide B (-)-Salicylihalamide B |
84.85 | C00044731 | Dulcidiol (-)-Dulcidiol |
84.85 | C00044732 | Dulcinol Scopadulciol |
84.85 | C00045087 | Strongylophorin 1 (-)-Strongylophorin 1 |
84.85 | C00045895 | Epiplakinic acid H (+)-Epiplakinic acid H |
84.85 | C00046851 | Phyllaemblic acid (+)-Phyllaemblic acid |
84.85 | C00024032 | Scopadulcic Acid A | 84.29 | C00048490 | Neocaesalpin R (+)-Neocaesalpin R |
84.29 | C00024905 | CID is old! | 84.06 | C00037396 | Kuhistanicaol A (+)-Kuhistanicaol A |
84.06 | C00013151 | [3R-(3a,4b,5a,5aa,6a,9b,9aa,10R*)]-5a-[(acetyloxy)methyl]octahydro-2,2,9-trimethyl-2H-3,9a-Methano-1-benzoxepin-4,5,6,9,10-pentol 5-acetate 6-benzoate | 84.00 | C00000895 | Scopadulcic acid B | 83.82 | C00035231 | 6-Acetylteucjaponin B | 83.82 | C00047956 | Latilagascene F (-)-Latilagascene F |
83.82 | C00023212 | [2S-[2alpha(Z),4aalpha,6alpha,8beta(S*),8abeta]]-8a-[(Acetyloxy)methyl]decahydro-6-hydroxy-8-(3-hydroxy-3-methyl-4-pentenyl)-4,4-dimethyl-7-methylene-2-naphthalenyl ester 2-methyl-2-butenoic acid | 83.58 | C00023524 | Teucretol | 83.58 | C00038222 | 2alpha,6beta,7alpha-Triacetoxylabda-8,13E-dien-15-ol | 83.58 | C00047532 | Oligandriortholactone (+)-Oligandriortholactone |
83.58 |