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


and

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




INPUT WORD = C00046249 , 50% or more
[ Metabolite Name : Orbiculin F , (+)-Orbiculin F ]
Number of matched data : 54

CID Metabolite Name Structural formula Metabolite Activity Similarity (%)
C00013137 Acetylpringleine
[3R-(3alpha,5beta,5aalpha,6alpha,7alpha,9beta,9aalpha,10R*)]-5a-[(Acetyloxy)methyl]octahydro-2,2,9-trimethyl-, 6,10-diacetate 5,7-dibenzoate 2H-3,9a-methano-1-benzoxepin-5,6,7,9,10-pentol		 89.80
C00013136 Pringlein 89.47
C00045038 Reissantin A 89.47
C00039807 Mutangin 88.54
C00013167 Cathedulin 8
Cathedulin E 8
Catheduline E 8
(3alpha,4alpha,5beta,5aalpha,6alpha,7alpha,9alpha,9aalpha)-[6,7-bis(Acetyloxy)-5-(benzoyloxy)octahydro-4-hydroxy-2,2,9-trimethyl-5aH-3,9a-methano-1-benzoxepin-5a-yl]methyl ester 3-pyridinecarboxylic acid		 88.42
C00046248 Orbiculin E
(+)-Orbiculin E		 88.42
C00013131 Celangulin 87.37
C00013134 (-)-Triptofordin C 2
Triptofordin C 2		 87.37
C00013135 (-)-Triptofordin C 1
Triptofordin C 1		 87.37
C00013145 Ejap 4
[3R-(3alpha,4alpha,5beta,5aalpha,6alpha,7alpha,9alpha,9aalpha,10R*)]-5a-[(Acetyloxy)methyl]octahydro-2,2,9-trimethyl-, 4,6,7,10-tetraacetate 5-benzoate 2H-3,9a-methano-1-benzoxepin-4,5,6,7,10-pentol		 87.37
C00043056 Tasumatrol F
(+)-Tasumatrol F		 87.37
C00013164 Acetylmaymyrsine
Maymyrsine acetate
[3R-(3alpha,5beta,5aalpha,6alpha,7alpha,9alpha,9aalpha,10R*)]-6,10-bis(Acetyloxy)-5a-[(acetyloxy)methyl]-7-(benzoyloxy)octahydro-2,2,9-trimethyl-2H-3,9a-methano-1-benzoxepin-5-yl ester 3-pyridinecarboxylic acid		 86.46
C00013166 [3R-(3alpha,5beta,5aalpha,6alpha,7alpha,9alpha,9aalpha,10R*)]-5a-[(Acetyloxy)methyl]octahydro-2,2,9-trimethyl-, 6,7,10-triacetate 5-benzoate 2H-3,9a-methano-1-benzoxepin-5,6,7,10-tetrol 86.32
C00013169 [3R-(3alpha,4beta,5alpha,5aalpha,6alpha,9beta,9aalpha,10R*)]-4,5-bis(Acetyloxy)-6-(benzoyloxy)octahydro-9-hydroxy-2,2,5a,9-tetramethyl-2H-3,9a-methano-1-benzoxepin-10-yl ester 3-pyridinecarboxylic acid 86.32
C00031269 Salasol B 86.32
C00038443 Amotsangin F
(+)-Amotsangin F		 86.32
C00013154 [3S-(3alpha,4beta,5alpha,5aalpha,6alpha,9beta,9aalpha,10S*)]-5a-[(Acetyloxy)methyl]octahydro-2,2,9-trimethyl-2H-3,9a-methano-1-benzoxepin-4,5,6,9,10-pentol, 5-acetate 4,6-dibenzoate 85.26
C00013163 Maymyrsine
[3R-(3alpha,5beta,5aalpha,6alpha,7alpha,9alpha,9aalpha,10R*)]-6,10-bis(Acetyloxy)-7-(benzoyloxy)octahydro-5a-(hydroxymethyl)-2,2,9-trimethyl-2H-3,9a-methano-1-benzoxepin-5-yl ester 3-pyridinecarboxylic acid		 85.26
C00046246 Orbiculin A 85.26
C00045040 Reissantin C 85.15
C00048516 Pulcherrimin E 84.54
C00013156 Triptofordin D 1
[3R-(3alpha,5alpha,5aalpha,6alpha,9beta,9aalpha,10R*)]-10-(Acetyloxy)-5a-[(acetyloxy)methyl]-5-(benzoyloxy)octahydro-9-hydroxy-2,2,9-trimethyl-4-oxo-2H-3,9a-methano-1-benzoxepin-6-yl ester 3-phenyl-2-propenoic acid		 84.38
C00001968 Celapanine 84.21
C00013142 Ejap 5
[3R-(3alpha,4alpha,5alpha,5aalpha,6alpha,7alpha,9alpha,9aalpha,10R*)]-5a-[(Acetyloxy)methyl]octahydro-2,2,9-trimethyl-, 5,6,7,10-tetraacetate 4-benzoate 2H-3,9a-methano-1-benzoxepin-4,5,6,7,10-pentol		 84.21
C00013147 [3R-(3alpha,4alpha,5alpha,5aalpha,6alpha,7alpha,9alpha,9aalpha,10R*)]-Octahydro-5a-(hydroxymethyl)-2,2,9-trimethyl-, 4,6,7,10-tetraacetate 5-benzoate 2H-3,9a-methano-1-benzoxepin-4,5,6,7,10-pentol 84.21
C00038778 Cipadessalide
(-)-Cipadessalide		 84.21
C00041000 Humilinolide B 84.21
C00041184 Taxuspinanane B
(+)-Taxuspinanane B		 84.21
C00038442 Amotsangin E
(+)-Amotsangin E		 83.51
C00041155 Taxchinin D 83.51
C00027743 Deoxyaconitine
3-Deoxyaconitine		 83.33
C00013133 Cathidine D 83.16
C00013160 Rzedowskin D
[3R-[3alpha,5beta,5aalpha,6alpha(E),7beta,9beta,9aalpha,10R*]]-5-(Acetyloxy)octahydro-7,9-dihydroxy-2,2,5a,9-tetramethyl-6-[(1-oxo-3-phenyl-2-propenyl)oxy]-2H-3,9a-methano-1-benzoxepin-10-yl ester 3-pyridinecarboxylic acid		 83.16
C00013175 Ejap 3
2[3R-(3alpha,4alpha,5beta,5aalpha,6alpha,9alpha,9aalpha,10R*)]- 5a-[(Acetyloxy)methyl]octahydro-2,2,9-trimethyl-H-3,9a-methano-1-benzoxepin-4,5,6,10-tetrol 4,6,10-triacetate 5-benzoate		 83.16
C00041148 Taxayuntin E 83.16
C00041149 Taxayuntin F 83.16
C00041152 Taxchinin A 83.16
C00041172 Taxuchin B 83.16
C00049531 Taxchinin M
(-)-Taxchinin M		 83.00
C00035955 6alpha-Acetoxy-9beta-benzoyloxy-1beta-cinnamoyloxy-8beta-(2-methylbutanoyloxy)-beta-dihydroagarofuran 82.65
C00041119 Scutalpin L 82.47
C00001967 Catheduline E2 82.24
C00013139 Maytine 82.11
C00013172 Acetyleumaitenol
[3R-(3alpha,4alpha,5beta,8aalpha,6alpha,9beta,9aalpha,10R*)]-4,6-bis(Acetyloxy)octahydro-9-hydroxy-2,2,5a,9-tetramethyl-2H-3,9a-methano-1-benzoxepin-5,10-diyl ester 3-furancarboxylic acid		 82.11
C00038289 5-Cinnamoyltaxicin I triacetate 82.11
C00040447 Tasumatrol V 82.11
C00040767 13-Acetylbrevifoliol
(+)-13-Acetylbrevifoliol		 82.11
C00041194 Taxuspine M 82.11
C00043791 Ohchinolal 82.11
C00043966 Taxezopidine J 82.11
C00047648 1-Deacetylkhivorin 82.11
C00049410 10-Deacetyltaxinine B
(+)-10-Deacetyltaxinine B		 82.11
C00049526 Taxawallin D 82.11
C00050229 Scupontin G
(-)-Scupontin G		 82.11
Page Top