KCF-S cluster No. 27 (115 metabolites)

Corresponding Phytochemical cluster No. 15

• Index
• Plant Species
• KEGG BRITE br08003
• Metabolite list (115)
• Human Protein
  / Gene in interactions
• Related Diseases

Plant Species

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Cumulative plant class count

class name	count
rosids	189
Liliopsida	34
asterids	18
eudicotyledons	13
Magnoliophyta	1

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Cumulative family count (Top 20)

class name	count
Fabaceae	154
Iridaceae	33
Rutaceae	24
Amaranthaceae	11
Asteraceae	8
Boraginaceae	6
Ochnaceae	5
Anacardiaceae	1
Lauraceae	1
Moraceae	1
Caryophyllaceae	1
Polygonaceae	1
Solanaceae	1
Rosaceae	1
Xanthorrhoeaceae	1
Celastraceae	1
Plantaginaceae	1
Sapotaceae	1
Vitaceae	1
Primulaceae	1

KEGG BRITE br08003

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Categories (2)

br08003 Category	# of metabolite
Isoflavones	4
Pterocarpanes	1

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metabolites link (5)

br08003 Category	KEGG ID	KNApSAcK ID
Isoflavones	C16226	C00000649
Pterocarpanes	C10200	C00002508
Isoflavones	C10201	C00002509
Isoflavones	C10467	C00002539
Isoflavones	C10522	C00002565

Metabolite list (115)

KNApSAcK ID	name	ChEMBL link	CTD link	# of proteins in ChEMBL interaction / related OMIM / related KEGG DISEASE	# of genes in CTD interaction / related diseases	figure
C00000649	2-Hydroxypseudobaptigenin / 2',7-Dihydroxy-4',5'-methylenedioxyisoflavone
C00002508	Anhydroglycinol / 3,9-Dihydroxypterocarpene
C00002509	Betavulgarin / 2'-Hydroxy-5-methoxy-6,7-methylenedioxyisoflavone
C00002539	Irilone / 5,4'-Dihydroxy-6,7-methylenedioxyisoflavone
C00002565	Pseudobaptigenin	CHEMBL486176	C060800	3 / 5 / 3
C00003995	5-Methoxy-6,7-methylenedioxyflavone	CHEMBL186478
C00003996	5-Methoxy-7,8-methylenedioxyflavone
C00003997	Milleyanaflavone / 7-Methoxy-3',4'-methylenedioxyflavone / 2-(1,3-Benzodioxol-5-yl)-7-methoxy-4H-1-benzopyran-4-one
C00003998	Bausplendin / 7-Methoxy-5,6:3',4'-bis(methylenedioxy)flavone
C00003999	Milletenin C / 6,7-Dimethoxy-3',4'-methylenedioxyflavone / 2-(1,3-Benzodioxol-5-yl)-6,7-dimethoxy-4H-1-benzopyran-4-one
C00004000	Prosogerin A
C00004001	Kanzakiflavone 2
C00004002	5,7,3'-Trimethoxy-4',5'-methylenedioxyflavone
C00004005	Linderoflavone B / Lucidin dimethyl ether / 5,6,7,8-Tetramethoxy-3',4'-(methylenedioxy)flavone / 2-(1,3-Benzodioxol-5-yl)-5,6,7,8-tetramethoxy-4H-1-benzopyran-4-one	CHEMBL483213
C00004006	5,6,7,3'-Tetramethoxy-4',5'-methylenedioxyflavone
C00004007	5,3',4',5'-Tetramethoxy-6,7-methylenedioxyflavone
C00005045	Demethoxykanugin / 2-(1,3-Benzodioxol-5-yl)-3,7-dimethoxy-4H-1-benzopyran-4-one	CHEMBL2205108
C00005046	Gomphrenol
C00005047	5-Hydroxy-3,7-dimethoxy-3',4'-methylenedioxyflavone	CHEMBL1970394
C00005048	Isokanugin / 3,5,7-Trimethoxy-3',4'-methylenedioxyflavone / 2-(1,3-Benzodioxol-5-yl)-3,5,7-trimethoxy-4H-1-benzopyran-4-one	CHEMBL1977496
C00005049	Kanugin
C00005054	Melisimplexin / 3,5,6,7-Tetramethoxy-3',4'-methylenedioxyflavone / 2-(1,3-Benzodioxol-5-yl)-3,5,6,7-tetramethoxy-4H-1-benzopyran-4-one	CHEMBL1969511
C00005055	Meliternatin / 6-(1,3-Benzodioxol-5-yl)-7,9-dimethoxy-8H-1,3-dioxolo[4,5-g][1]benzopyran-8-one / 7,9-Dimethoxy-6-[3,4-(methylenedioxy)phenyl]-8H-1,3-dioxolo[4,5-g][1]benzopyran-8-one	CHEMBL465663
C00005061	Meliternin	CHEMBL1974356
C00005091	3,5,6-Trimethoxyfurano[2,3:7,8]flavone
C00005092	Pongapin / 2-(1,3-Benzodioxol-5-yl)-3-methoxy-4H-furo[2,3-h]-1-benzopyran-4-one / 3-Methoxy-2-[3,4-(methylenedioxy)phenyl]-4H-furo[2,3-h]-1-benzopyran-4-one	CHEMBL577397
C00005093	3'-Methoxypongapin
C00005094	3,5,6-Trimethoxy-3',4'-methylene-dioxyfurano[2,3:7,8]flavone
C00009397	Pseudobaptigenin methyl ether / 7-Methoxy-3',4'-methylenedioxyisoflavone	CHEMBL583578		11 / 32 / 53
C00009399	Glyzaglabrin / 7,2'-Dihydroxy-3',4'-methylenedioxyisoflavone
C00009403	Maximaisoflavone A	CHEMBL2007581
C00009404	Cuneatin / Maximaisoflavone G	CHEMBL519221
C00009406	Fujikinetin / 7-Hydroxy-6-methoxy-3',4'-methylenedioxyisoflavone	CHEMBL485985
C00009410	Cuneatin methyl ether / 7,2'-Dimethoxy-4',5'-methylenedioxyisoflavon	CHEMBL1976532
C00009411	Fujikinetin methyl ether / 6,7-Dimethoxy-3',4'-(methylenedioxy)isoflavone	CHEMBL1224369
C00009412	3',4'-Dimethoxy-6,7-methylenedioxyisoflavone
C00009418	6-Hydroxy-7,2'-dimethoxy-4',5'-methylenedioxyisoflavone
C00009419	Dalpatein
C00009421	Milldurone / 6,7,2'-Trimethoxy-4',5'-methylenedioxyisoflavone	CHEMBL234717
C00009422	6,7,3'-Trimethoxy-4',5'-methylenedioxyisoflavone
C00009423	7,8,2'-Trimethoxy-4',5'-methylenedioxyisoflavone
C00009425	8,3',4'-Trimethoxy-6,7-methylenedioxyisoflavone
C00009436	Dehydroneotenone
C00009455	5-Hydroxypseudobaptigenin	CHEMBL591023
C00009461	Nigricin / Irisolone / 4'-Hydroxy-5-methoxy-6,7-methylenedioxyisoflavone	CHEMBL486826
C00009466	Derrustone / 5,7-Dimethoxy-3',4'-methylenedioxyisoflavone	CHEMBL252721		5 / 8 / 5
C00009467	Tlatlancuayin / 5,2-Dimethoxy-6,7-methylenedioxyisoflavone
C00009468	Irisolone methyl ether / 5,4'-Dimethoxy-6,7-methylenedioxyisoflavone / 4',5-Dimethoxy-6,7-methylenedioxyisoflavone
C00009476	Dipteryxine / Isoplatycarpanetin / 7-Hydroxy-5,6-dimethoxy-3',4'-methylenedioxyisoflavone
C00009477	Iriskumaonin / 3'-Hydroxy-5,4'-dimethoxy-6,7-methylenedioxyisoflavone
C00009478	Platycarpanetin
C00009482	Odorantin / Odoratine / Diptodoratidin / 5,6,7-Trimethoxy-3',4'-methylenedioxyisoflavone
C00009483	3'-O-Methyliriskumaonin / Iriskumaonin methyl ether / 5,3',4'-Trimethoxy-6,7-methylenedioxyisoflavone
C00009490	Irisflorentin / 5,3',4',5'-Tetramethoxy-6,7-methylenedioxyisoflavone	CHEMBL487216
C00009491	5,6,7,8-Tetramethoxy-3',4'-methylenedioxyisoflavone
C00009598	Dehydrodolineone / 6a,13a-Didehydrodolineone
C00009694	Anhydrovariabilin / 3,9-Dimethoxypterocarpene	CHEMBL1520512		9 / 11 / 12
C00009695	Anhydropisatin / Flemichapparin B / 6a,11a-Dehydropterocarpin
C00009697	3-Hydroxy-4-methoxy-8,9-methylenedioxypterocarpene
C00009703	Neorauteen
C00009704	Neoduleen
C00009802	2-(2,4-Dihydroxyphenyl)-5,6-methylenedioxybenzofuran / 2',4'-Dihydroxy-5,6-methylenedioxy-2-phenylbenzofuran	CHEMBL524490
C00009803	2'-Hydroxy-4'-methoxy-5,6-methylenedioxy-2-phenylbenzofuran
C00009807	Sophorafuran A / 2-(2,4-Dihydroxy-3-methoxyphenyl)-5,6-methylenedioxybonzofuran
C00009819	Hemerocallone / 5,2',5'-Trimethoxy-6,7-methylenedioxyisoflavone
C00009820	Maximaisoflavone H / 4'-Methoxy-7,8-methylenedioxyisoflavone
C00009821	Maximaisoflavone E
C00009823	Maximaisoflavone D / 7,8-Methylenedioxy-3',4'-dimethoxyisoflavone	CHEMBL1967131
C00009824	Maximaisoflavone F / 7-Hydroxy-8,2'-dimethoxy-4',5'-methylenedioxyisoflavonel
C00009828	Dalspinin / 5,7-Dihydroxy-6-methoxy-3',4'-methylenedioxyisoflavone
C00009829	5,3'-Dihydroxy-4',5'-dimethoxy-6,7-methylenedioxyisoflavone		C052655
C00009855	7,8-Dimethoxy-3',4'-methylenedioxyisoflavone
C00009856	Irisone B / 5,2'-Dihydroxy-6,7-methylenedioxyisoflavone	CHEMBL443974	C053588
C00009857	Irisone A / 5-Hydroxy-2'-methoxy-6,7-methylenedioxyisoflavone	CHEMBL509631	C053587
C00009858	5,3'-Dihydroxy-2'-methoxy-6,7-methylenedioxyisoflavone
C00009861	Squarrosin / 5-Hydroxy-3',4'-dimethoxy-6,7-methylenedioxyisoflavone
C00009862	Iriskashmirianin / 4'-Hydroxy-5,3'-dimethoxy-6,7-methylenedioxyisoflavone
C00009863	Isoiriskashmirianin / 3'-Hydroxy-5,5'-dimethoxy-6,7-methylenedioxyisoflavone
C00009864	Dalpalatin
C00009909	Garhwalin
C00010028	3-Hydroxy-8,9-methylenedioxypterocarp-6a-ene
C00013397	5-Hydroxy-7-methoxy-3',4'-methylenedioxyflavone / 2-(1,3-Benzodioxol-5-yl)-5-hydroxy-7-methoxy-4H-1-benzopyran-4-one
C00013398	3',4'-Methylenedioxy-5,7-dimethoxyflavone / 5,7-Dimethoxy-3',4'-methylenedioxyflavone / 2-(1,3-Benzodioxol-5-yl)-5,7-dimethoxy-4H-1-benzopyran-4-one
C00013399	Millettocalyxin A / 7-Methoxy-2-(6-methoxy-1,3-benzodioxol-5-yl)-4H-1-benzopyran-4-one
C00013400	7,8-Dimethoxy-3',4'-methylenedioxyflavone / 2-(1,3-Benzodioxol-5-yl)-7,8-dimethoxy-4H-1-benzopyran-4-one
C00013401	2-(1,3-Benzodioxol-5-yl)-5-hydroxy-6,8-dimethoxy-4H-1-benzopyran-4-one
C00013402	Ageconyflavone A / 3',4'-Methylenedioxy-5,6,7-trimethoxyflavone / 2-(1,3-Benzodioxol-5-yl)-5,6,7-trimethoxy-4H-1-benzopyran-4-one
C00018863	Lespedezol A4 / 8,9-Dihydroxy-3-methoxypterocarpene
C00018938	Lespedezol A1 / 9-Hydroxyfurano[2'3':3,2]pterocarpene
C00019021	5-Methoxy-6,7:3',4'-bis(methylenedioxy)isoflavone
C00019022	3'-Methoxy-6,7,4',5'-bis(methylenedioxy)isoflavone
C00019023	5,2'-Dimethoxy-6,7:4',5'-bis(methylenedioxy)isoflavone
C00019024	5,3'-Dimethoxy-6,7:4',5'-bis(methylenedioxy)isoflavone
C00019188	Andirol A / 3-Hydroxy-7-methoxy-8,9-methylenedioxy-6-hydroxymethylpterocarpene
C00019189	Andirol B / 3-Hydroxy-8,9-methylenedioxy-6-hydroxymethylpterocarpene
C00019200	Pongaglabrone / Songaglabrene / 2-[3,4-(Methylenedioxy)phenyl]-4H-furo[2,3-h]-1-benzopyran-4-one	CHEMBL583961
C00019232	Cicerfuran / 6-Hydroxy-2'-methoxy-4',5'-methylenedioxy-2-arylbenzofuran
C00019276	Soforanarin A / 5,3'-Dihydroxy-4'-methoxy-6,7-methylenedioxyisoflavone
C00019278	4'-Methoxy nigricin,5-Hydroxy-4'-methoxy-6,7-methylenedioxyisoflavone
C00019438	5,7,8-Trimethoxy-3',4'-methylenedioxyisoflavone
C00019504	Kashmigenin / 4'-Hydroxy-3',5'-dimethoxy-6,7-methylenedioxyisoflavone
C00019594	Acicerone / 6-Hydroxy-7-methoxy-3',4'-methylenedioxyisoflavone
C00019647	5-Hydroxy-3',4',5'-trimethoxy-6,7-methylenedioxyisoflavone
C00019715	Madhushazone / 5,2',3',6'-Tetrahydroxy-6,7-methylenedioxyisoflavone
C00019742	6,7-Dihydroxy-3'-methoxy-4',5'-methylenedioxyisoflavone
C00020171	5,7-Dihydroxy-3',4'-methylenedioxyflavone	CHEMBL181600
C00020172	5-Methoxy-3',4'-methylenedioxyfurano[2'',3'':7,8]flavone
C00020211	6,7-Dihydroxy-3',4'-methylenedioxyisoflavone	CHEMBL239030		3 / 2 / 0
C00034310	Tenuifone
C00034954	Pongamone D
C00035491	3'-Methoxy-4',5'-methylenedioxyflavone
C00036554	Iriflogenin / 3'-Methoxyirilone
C00041876	Spinosan A	CHEMBL517523
C00044412	1,7-Dihydroxy-2,3-methylenedioxyxanthone
C00047949	Khrinone D	CHEMBL1079792

Human Protein / Gene in interactions

21 ChEMBL Protein in interactions

accession	description	class description	KNApSAcK metabolite in interactions	# of diseases (OMIM / KEGG)
Q16637	Survival motor neuron protein	Unclassified protein	C00009397 C00009466 C00009694	4 / 1
P10636	Microtubule-associated protein tau	Unclassified protein	C00009397 C00009466 C00009694	4 / 3
P08684	Cytochrome P450 3A4	Cytochrome P450 3A4	C00009466 C00009694	0 / 1
Q07869	Peroxisome proliferator-activated receptor alpha	NR1C1	C00002565 C00009397	0 / 0
Q03181	Peroxisome proliferator-activated receptor delta	NR1C2	C00002565 C00009397	0 / 0
P16050	Arachidonate 15-lipoxygenase	Enzyme	C00009694 C00020211	0 / 0
P37231	Peroxisome proliferator-activated receptor gamma	NR1C3	C00002565 C00009397	5 / 3
O94782	Ubiquitin carboxyl-terminal hydrolase 1	Enzyme	C00009466 C00009694	0 / 0
P18054	Arachidonate 12-lipoxygenase, 12S-type	Enzyme	C00020211	2 / 0
P00352	Retinal dehydrogenase 1	Enzyme	C00009466	0 / 0
P51151	Ras-related protein Rab-9A	Unclassified protein	C00009397	0 / 0
O15118	Niemann-Pick C1 protein	Unclassified protein	C00009397	1 / 1
Q96QE3	ATPase family AAA domain-containing protein 5	Unclassified protein	C00009397	0 / 0
O15296	Arachidonate 15-lipoxygenase B	Enzyme	C00020211	0 / 0
P02545	Prelamin-A/C	Unclassified protein	C00009397	11 / 10
O75604	Ubiquitin carboxyl-terminal hydrolase 2	Enzyme	C00009694	0 / 0
Q16236	Nuclear factor erythroid 2-related factor 2	Unclassified protein	C00009397	0 / 0
P04637	Cellular tumor antigen p53	Transcription Factor	C00009397	7 / 37
B2RXH2	Lysine-specific demethylase 4E	Enzyme	C00009694	0 / 0
O00255	Menin	Unclassified protein	C00009694	2 / 5
Q03164	Histone-lysine N-methyltransferase 2A	Enzyme	C00009694	1 / 2

Related Diseases

Diseases related to proteins in ChEMBL interactions