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


and

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




INPUT WORD = C00048283 , 50% or more
[ Metabolite Name : 3alpha-Hydroxymarrubiin , (+)-3alpha-Hydroxymarrubiin ]
Number of matched data : 70

CID Metabolite Name Structural formula Metabolite Activity Similarity (%)
C00022266 Peregrinin 98.11
C00022391 Ballotinone
7-Oxomarrubiin		 98.11
C00022288 Ballonigrinone 96.23
C00022392 Leonotin 96.23
C00041663 Marrulibanoside 96.23
C00022217 Leonotinin 94.44
C00023348 Preperegrinin 94.44
C00048251 13S-Preperegrinine
(+)-13S-Preperegrinine		 94.44
C00003452 Marrubiin 94.34
C00022289 18-Hydroxyballonigrine 94.34
C00022394 Ballotenol 94.34
C00035425 Velutine C 94.34
C00022287 Ballonigrin
Ballonigrine		 92.45
C00022294 Marrubenol 92.45
C00023347 (13S)-Premarrubiin 92.45
C00023367 Isodihydroclutiolide 92.45
C00030661 Limbatenolide E
(+)-Limbatenolide E		 92.45
C00033162 Marrubinone B
(+)-Marrubinone B:Polyodonin		 90.74
C00035207 15-epi-Cyllenine A 90.74
C00035287 Cyllenine A 90.74
C00041247 15-epi-Cyllenin A 90.74
C00041472 Cyllenin A 90.74
C00043601 Hypopurin B
(+)-Hypopurin B		 90.74
C00003476 (13R)-Premarrubiin 90.57
C00022383 15,16-Epoxy-20-oxo-8(17),13(16),14-labdatrien-19-oic acid methyl ester 90.57
C00022528 3alpha,5alpha-Dihydroxychiliolide 90.57
C00023350 Sciadin 90.57
C00023363 Wightionolide 90.57
C00023366 Dihydroclutiolide 90.57
C00023397 Haplomitrenolide B 90.57
C00030660 Limbatenolide D 90.57
C00031960 Leoheterin
(+)-Leoheterin		 90.57
C00043602 Hypopurin C
(+)-Hypopurin C		 90.57
C00035423 Velutine A 89.29
C00022315 5-Episophocarpine 88.89
C00036106 Cornutin L
(+)-Cornutin L		 88.89
C00038003 Vitetrifolin B
(-)-Vitetrifolin B		 88.89
C00043917 Sibiricinone A
(+)-Sibiricinone A		 88.89
C00046593 Labda-8(17),11,13-trien-15(16)-olide
(+)-Labda-8(17),11,13-trien-15(16)-olide		 88.89
C00022232 14-Deoxyandrographolide 88.68
C00022240 14-Deoxy-11,14-didehydroandrographolide 88.68
C00022255 14-Deoxy-11-oxoandrographolide 88.68
C00022271 7-Hydroxylambertianic acid 88.68
C00022272 17-Hydroxyisolambertianic acid 88.68
C00022312 (-)-Isopsiadiol 88.68
C00022314 (+)-Isomatrine
Isomatrine		 88.68
C00022320 Polyalthic acid 88.68
C00022321 Lambertianic acid 88.68
C00022769 ent-8(17),13-Labdadien-15,16-olid-18-oic acid 88.68
C00022770 Pinusolidic acid 88.68
C00022771 Pinusolide 88.68
C00023344 Nivenolide 88.68
C00023365 Clutiolide 88.68
C00023393 ent-15,16-Epoxy-2beta,3beta,19-trihydroxy-18-nor-8(17),13(16),14-labdatriene-12-dione 88.68
C00023396 Haplomitrenolide A 88.68
C00023461 Gutierrezial 88.68
C00023527 Junceic acid epoxide 88.68
C00033161 Marrubiglobosin
(+)-Marrubiglobosin		 88.68
C00035288 Deacetylfruticolone
(+)-Deacetylfruticolone
(+)-Deacetylfruticolone		 88.68
C00036099 Cornutin E
(-)-Cornutin E		 88.68
C00038325 7R-Hydroxy-14-deoxyandrographolide 88.68
C00038326 7S-Hydroxy-14-deoxyandrographolide 88.68
C00041244 14-Deoxy-17-hydroxyandrographolide
(-)-14-Deoxy-17-hydroxyandrographolide		 88.68
C00041483 Deacetylvitexilactone
(+)-Deacetylvitexilactone		 88.68
C00041603 isoandrographolide 88.68
C00041625 Leucasperol A 88.68
C00041626 Leucasperol B 88.68
C00043600 Hypopurin A
(+)-Hypopurin A		 88.68
C00043603 Hypopurin D
(+)-Hypopurin D		 88.68
C00050247 Teumassilenin B
(+)-Teumassilenin B		 88.68
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