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


and

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




INPUT WORD = C00003452 , 50% or more
[ Metabolite Name : Marrubiin ]
Number of matched data : 50

CID Metabolite Name Structural formula Metabolite Activity Similarity (%)
C00022294 Marrubenol 98.04
C00022266 Peregrinin 96.23
C00022392 Leonotin 96.23
C00022394 Ballotenol 96.15
C00031960 Leoheterin
(+)-Leoheterin		 96.08
C00022217 Leonotinin 94.44
C00022391 Ballotinone
7-Oxomarrubiin		 94.34
C00035425 Velutine C 94.34
C00041663 Marrulibanoside 94.34
C00048283 3alpha-Hydroxymarrubiin
(+)-3alpha-Hydroxymarrubiin		 94.34
C00003476 (13R)-Premarrubiin 94.23
C00022383 15,16-Epoxy-20-oxo-8(17),13(16),14-labdatrien-19-oic acid methyl ester 94.23
C00023350 Sciadin 94.23
C00030660 Limbatenolide D 94.23
C00022271 7-Hydroxylambertianic acid 94.12
C00022272 17-Hydroxyisolambertianic acid 94.12
C00022287 Ballonigrin
Ballonigrine		 94.12
C00022314 (+)-Isomatrine
Isomatrine		 94.12
C00022320 Polyalthic acid 94.12
C00022321 Lambertianic acid 94.12
C00022769 ent-8(17),13-Labdadien-15,16-olid-18-oic acid 94.12
C00022770 Pinusolidic acid 94.12
C00023344 Nivenolide 94.12
C00023396 Haplomitrenolide A 94.12
C00023461 Gutierrezial 94.12
C00036103 Cornutin I
(+)-Cornutin I		 94.12
C00041483 Deacetylvitexilactone
(+)-Deacetylvitexilactone		 94.12
C00043600 Hypopurin A
(+)-Hypopurin A		 94.12
C00043603 Hypopurin D
(+)-Hypopurin D		 94.12
C00050374 Leopersin G
(+)-Leopersin G		 94.12
C00038003 Vitetrifolin B
(-)-Vitetrifolin B		 92.59
C00023367 Isodihydroclutiolide 92.45
C00022771 Pinusolide 92.31
C00023347 (13S)-Premarrubiin 92.31
C00030661 Limbatenolide E
(+)-Limbatenolide E		 92.31
C00022229 ent-2alpha-2,18-Dihydroxy-8(17),13-labdadien-15,16-olide 92.16
C00022230 Phlogantholide A 92.16
C00022232 14-Deoxyandrographolide 92.16
C00022240 14-Deoxy-11,14-didehydroandrographolide 92.16
C00022268 Hispanolone 92.16
C00022275 Solidagenone 92.16
C00022312 (-)-Isopsiadiol 92.16
C00022322 Illurinic acid
Daniellic acid		 92.16
C00022457 ent-Labda-8(17),13-dien-19-oic acid-15,16-olide 92.16
C00023369 Galeopsinolone 92.16
C00023527 Junceic acid epoxide 92.16
C00031965 Leoheteronin E
(-)-Leoheteronin E
Isoleopersin G		 92.16
C00035728 Preleoheterin 92.16
C00033162 Marrubinone B
(+)-Marrubinone B:Polyodonin		 90.74
C00043601 Hypopurin B
(+)-Hypopurin B		 90.74
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