KCF-S cluster No. 48 (80 metabolites)

Corresponding Phytochemical cluster No. 14

• Index
• Plant Species
• KEGG BRITE br08003
• Metabolite list (80)
• Human Protein
  / Gene in interactions
• Related Diseases

Plant Species

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Cumulative plant class count

class name	count
rosids	79
asterids	38
eudicotyledons	6
Euphyllophyta	6
Liliopsida	2
Spermatophyta	1
Embryophyta	1

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Cumulative family count (Top 20)

class name	count
Rutaceae	36
Fabaceae	18
Lamiaceae	11
Asteraceae	8
Melastomataceae	5
Solanaceae	5
Rosaceae	4
Viscaceae	3
Malvaceae	3
Rubiaceae	3
Aspleniaceae	3
Rhamnaceae	2
Bignoniaceae	2
Ericaceae	2
Lythraceae	2
Pteridaceae	2
Scrophulariaceae	1
Dilleniaceae	1
Cyperaceae	1
Phyllanthaceae	1

KEGG BRITE br08003

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Categories (1)

br08003 Category	# of metabolite
Flavanones	9

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metabolites link (9)

br08003 Category	KEGG ID	KNApSAcK ID
Flavanones	C09616	C00000946
Flavanones	C09755	C00000970
Flavanones	C09789	C00000983
Flavanones	C09793	C00000984
Flavanones	C09805	C00000986
Flavanones	C09806	C00000987
Flavanones	C09828	C00000993
Flavanones	C09830	C00000995
Flavanones	C09732	C00008295

Metabolite list (80)

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
C00000946	Butrin		C049386
C00000970	Hesperidin	CHEMBL265606 CHEMBL449317 CHEMBL1314714 CHEMBL1328143 CHEMBL1535112 CHEMBL1574000 CHEMBL2140112	D006569	24 / 9 / 14	10 / 5
C00000983	Naringin	CHEMBL451532 CHEMBL451512 CHEMBL1742953 CHEMBL1970019	C005274	18 / 12 / 6	12 / 4
C00000984	Narirutin	CHEMBL446246 CHEMBL507672 CHEMBL1441712
C00000986	Neoeriocitrin
C00000987	Neohesperidin	CHEMBL506398 CHEMBL1885559		1 / 0 / 0
C00000993	Pinocembrin 7-rhamnosylglucoside / Pinocembrin 7-O-neohesperidoside
C00000995	Poncirin / Isosakuranetin-7-O-beta-D-neohesperidoside	CHEMBL451050
C00006398	6,8-Di-C-glucopyranosylnaringenin
C00008057	Leptosidin 6-xylosyl-(1->4)-arabinoside
C00008139	Pinocembrin 7-O-neohesperidoside 2'''-O-acetate
C00008140	Pinocembrin 7-O-neohesperidoside 3'''-O-acetate
C00008141	Pinocembrin 7-O-neohesperidoside 4'''-O-acetate
C00008142	Pinocembrin 7-O-neohesperidoside 6''-O-acetate
C00008195	Liquiritin apioside	CHEMBL600792
C00008206	Naringenin 5-O-neohesperidoside
C00008214	Naringenin 5,7-di-O-glucoside	CHEMBL1726439		2 / 0 / 0
C00008215	5,7,4'-Trihydroxyflavanone 7-O-arabinosylglucoside
C00008216	5,7,4'-Trihydroxyflavanone 7-O-galactosylglucoside
C00008217	5,7,4'-Trihydroxyflavanone 4'-O-rutinoside
C00008218	5,7,4'-Trihydroxyflavonone 4'-O-xylosylglucoside
C00008223	Didymin
C00008224	Acinoside
C00008228	Naringenin 5,7-dimethyl ether 4'-O-xylosyl-(1->4)-arabinoside
C00008241	Farrerol 5,7-di-O-glucoside
C00008250	Flavaprenin 7,4'-diglucoside
C00008271	Nirurin		C045116
C00008294	Eriodictyol 5,3'-di-O-glucoside
C00008295	Eriocitrin	CHEMBL2165586
C00008303	Eriodictyol 5-methyl ether 7-O-xylosyl-(1->4)-arabinoside
C00008410	5,7,2',5'-Tetrahydroxyflavanone 7-O-rutinoside
C00008421	Mesuein
C00008430	Viscumneoside III	CHEMBL2332107	C060397
C00008438	5-O-Methyleriodictyol 7-glucosyl-(1->4)-galactoside
C00008440	Viscumneoside I
C00008530	Naringin 6''-malonate
C00008666	Pinobanksin 5-galactosyl-(1->4)-glucoside
C00008668	Kushenol J
C00008678	Aromadendrin 3-rhamnoside-5-glucoside
C00008679	Aromadendrin 7-rhamnosyl-(1->4)-galactoside
C00008680	Micrantoside
C00008688	Fustin 3,7-diglucoside
C00008714	Taxifolin 3-galactosyl-(1->6)-glucoside
C00008715	Huangqioside E
C00008716	Taxifolin 3-glucosyl-(1->4)-rhamnoside
C00008717	Taxifolin 3,5-dirhamnoside
C00008718	Flavoplatycoside
C00008721	Anacheiloside
C00008729	Dihydrophelloside
C00008844	Catechin 3-O-rutinoside
C00008862	3,5,7,3',4'-Pentahydroxy-6-methoxyflavan 3-O-[glucopyranosyl-(4->1)-alpha-D-xylopyranoside]
C00009022	Leucodelphinidin 3-O-(beta-D-glucopyranosyl-(1->4)-alpha-L-rhamnopyranoside)
C00009033	3,4,7-Trihydroxy-5-methoxy-8-prenylflavan 4-O-(beta-D-xylopyranosyl-(1->6)-beta-D-glucopyranoside)
C00014306	Liquiritigenin 7-apiofuranoside-4'-glucoside / 7,4'-Dihydroxyflavanone 7-apiofuranoside-4'-glucoside
C00014307	Liquiritigenin 7-(3-acetylapiofuranoside)-4'-glucoside / 7,4'-Dihydroxyflavanone 7-(3-acetylapiofuranoside)-4'-glucoside
C00014308	Liquiritigenin 4'-[3-acetylapiosyl-(1->2)-glucoside] / 7,4'-Dihydroxyflavanone 4'-[3-acetylapiosy-l(1->2)-glucoside]
C00014321	Fumotonaringin / Naringenin 7-rhamnosyl-(1->2)-(4-O-methylglucoside) / 5,7,4'-Trihydroxyflavanone 7-rhamnosyl-(1->2)-(4-O-methylglucoside)
C00014323	Isosakuranetin 7-alpha-L-arabinofuranosyl-(1->6)-glucoside / 5,7-Dihydroxy-4'-methoxyflavanone 7-alpha-L-arabinofuranosyl-(1->6)-glucoside
C00014329	5,6,7,4'-Tetrahydroxyflavanone 6,7-diglucoside
C00014337	5,7,3',4'-Tetrahydroxyflavanone 7-alpha-L-arabinofuranosyl-(1->6)-glucoside
C00014345	Clematin / Clematine / 5,7,3'-Trihydroxy-4'-methoxyflavanone 7-beta-L-rhamnosyl-(1->6)-glucoside
C00014346	Homoesperetin 7-rutinoside / 5,7-Dihydroxy-3',4'-dimethoxyflavanone 7-rutinoside
C00014348	(2S)-5,4'-Dihydroxy-7,3'-dimethoxyflavanone 4'-apiosyl-(1->2)-glucoside	CHEMBL2332106
C00014349	4'-Hydroxy-5,7,2'-trimethoxyflavanone 4'-rhamnosyl-(1->6)-glucoside
C00014352	5,7-Dihydroxy-6-C-methylflavanone 7-xylosyl-(1->3)-xyloside
C00014354	Miconioside B / Farrerol 7-O-beta-D-apiofuranosyl(1->6)-beta-D-glucopyranoside / 5,7,4-Trihydroxy-6,8-di-C-methylflavanone 7-O-beta-D-apiofuranosyl-(1->6)-beta-D-glucopyranoside
C00014355	Matteucinol 7-O-beta-D-apiofuranosyl(1->6)-beta-D-glucopyranoside / 5,7-Dihydroxy-4'-methoxy-6,8-di-C-methylflavanone 7-O-beta-D-apiofuranosyl-(1->6)-beta-D-glucopyranoside
C00014356	Miconioside A / Matteucinol 7-O-alpha-L-arabinopyranosyl(1->6)-beta-D-glucopyranoside / 5,7-Dihydroxy-4'-methoxy-6,8-di-C-methylflavanone 7-O-alpha-L-arabinopyranosyl-(1->6)-beta-D-glucopyranoside	CHEMBL448750		1 / 0 / 0
C00014359	5,4'-Dihydroxy-6-C-prenylflavanone 4'-xylosyl-(1->2)-rhamnoside
C00014411	Taxifolin 3,7-dirhamnoside
C00014671	Hovetrichoside D / Maesopsin 4-glucoside 4'-rhamnoside / 2,4,6,4'-Tetrahydroxy-2-benzylcoumaranone 4-glucoside 4'-rhamnoside
C00020640	Liquiritigenin 7,4'-diglucoside
C00020690	Naringenin 5,7-dimethylether 4'-O-[alpha-L-rhamnopyranosyl(1->4)-beta-D-glucopyranoside]
C00024205	Evodioside B
C00032568	(2R)-Naringenin 8-C-alpha-L-rhamnopyranosyl-(1->2)-beta-D-glucopyranoside / (+)-(2R)-Naringenin 8-C-alpha-L-rhamnopyranosyl-(1->2)-beta-D-glucopyranoside
C00032570	(2S)-Naringenin 8-C-alpha-L-rhamnopyranosyl-(1->2)-beta-D-glucopyranoside
C00034184	Pyrroside B
C00042498	Eriodictyol 7-O-sophoroside / (-)-Eriodictyol 7-O-sophoroside	CHEMBL499113
C00047768	Brutieridin
C00047991	Melitidin

Human Protein / Gene in interactions

41 ChEMBL Protein in interactions

accession	description	class description	KNApSAcK metabolite in interactions	# of diseases (OMIM / KEGG)
P83916	Chromobox protein homolog 1	Unclassified protein	C00000970 C00000983 C00008214	0 / 0
Q9Y251	Heparanase	Enzyme	C00000970 C00000983	0 / 0
Q9UBT6	DNA polymerase kappa	Enzyme	C00000970 C00000987	0 / 0
P11308	Transcriptional regulator ERG	Unclassified protein	C00000970 C00000983	1 / 2
P11511	Cytochrome P450 19A1	Cytochrome P450 19A1	C00000983	2 / 2
O94956	Solute carrier organic anion transporter family member 2B1	Unclassified protein	C00000983	0 / 0
P06746	DNA polymerase beta	Enzyme	C00000970	0 / 0
Q13526	Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1	Enzyme	C00000970	0 / 0
P62158	Calmodulin	Unclassified protein	C00000970	1 / 0
P08183	Multidrug resistance protein 1	drug	C00000983	1 / 0
P49327	Fatty acid synthase	Transferase	C00014356	0 / 0
P11712	Cytochrome P450 2C9	Cytochrome P450 2C9	C00000970	0 / 1
Q9GZU7	Carboxy-terminal domain RNA polymerase II polypeptide A small phosphatase 1	Enzyme	C00000970	0 / 0
O75496	Geminin	Unclassified protein	C00000983	0 / 0
P46721	Solute carrier organic anion transporter family member 1A2	Unclassified protein	C00000983	0 / 0
P54855	UDP-glucuronosyltransferase 2B15	Enzyme	C00000983	0 / 0
Q9Y253	DNA polymerase eta	Enzyme	C00000970	1 / 1
P10635	Cytochrome P450 2D6	Cytochrome P450 2D6	C00000970	1 / 0
Q9Y6L6	Solute carrier organic anion transporter family member 1B1	Electrochemical transporter	C00000983	1 / 0
Q9NPD5	Solute carrier organic anion transporter family member 1B3	Electrochemical transporter	C00000983	1 / 0
Q9UIF8	Bromodomain adjacent to zinc finger domain protein 2B	Unclassified protein	C00000970	0 / 0
P05177	Cytochrome P450 1A2	Cytochrome P450 1A2	C00000970	0 / 0
Q96QE3	ATPase family AAA domain-containing protein 5	Unclassified protein	C00008214	0 / 0
P33261	Cytochrome P450 2C19	Cytochrome P450 2C19	C00000970	1 / 1
P08684	Cytochrome P450 3A4	Cytochrome P450 3A4	C00000970	0 / 1
Q9UNA4	DNA polymerase iota	Enzyme	C00000970	0 / 0
O75164	Lysine-specific demethylase 4A	Enzyme	C00000970	0 / 0
P61088	Ubiquitin-conjugating enzyme E2 N	Enzyme	C00000983	0 / 0
P27695	DNA-(apurinic or apyrimidinic site) lyase	Enzyme	C00000970	0 / 0
P22309	UDP-glucuronosyltransferase 1-1	Enzyme	C00000983	5 / 1
P18031	Tyrosine-protein phosphatase non-receptor type 1	Tyr	C00000983	0 / 0
P22310	UDP-glucuronosyltransferase 1-4	Enzyme	C00000983	3 / 0
Q96KQ7	Histone-lysine N-methyltransferase EHMT2	Enzyme	C00000983	0 / 0
Q9NUW8	Tyrosyl-DNA phosphodiesterase 1	Enzyme	C00000970	1 / 1
O75874	Isocitrate dehydrogenase [NADP] cytoplasmic	Enzyme	C00000983	1 / 0
O00255	Menin	Unclassified protein	C00000970	2 / 5
Q03164	Histone-lysine N-methyltransferase 2A	Enzyme	C00000970	1 / 2
Q02410	Amyloid beta A4 precursor protein-binding family A member 1	Unclassified protein	C00000970	0 / 0
Q00975	Voltage-dependent N-type calcium channel subunit alpha-1B	N-TYPE	C00000970	0 / 0
O94925	Glutaminase kidney isoform, mitochondrial	Enzyme	C00000970	0 / 0
Q13148	TAR DNA-binding protein 43	Unclassified protein	C00000983	1 / 1

21 Gene in CTD interactions

gene	gene name	gene description	KNApSAcK metabolite in interactions
3383	ICAM1, BB2, CD54, P3.58	intercellular adhesion molecule 1	C00000970 C00000983
581	BAX, BCL2L4	BCL2-associated X protein	C00000983
842	CASP9, APAF-3, APAF3, ICE-LAP6, MCH6, PPP1R56	caspase 9, apoptosis-related cysteine peptidase (EC:3.4.22.62)	C00000983
1543	CYP1A1, AHH, AHRR, CP11, CYP1, P1-450, P450-C, P450DX	cytochrome P450, family 1, subfamily A, polypeptide 1 (EC:1.14.14.1)	C00000983
1544	CYP1A2, CP12, P3-450, P450(PA)	cytochrome P450, family 1, subfamily A, polypeptide 2 (EC:1.14.14.1)	C00000983
1545	CYP1B1, CP1B, CYPIB1, GLC3A, P4501B1	cytochrome P450, family 1, subfamily B, polypeptide 1 (EC:1.14.14.1)	C00000983
1559	CYP2C9, CPC9, CYP2C, CYP2C10, CYPIIC9, P450IIC9	cytochrome P450, family 2, subfamily C, polypeptide 9 (EC:1.14.13.48 1.14.13.49 1.14.13.80)	C00000983
1576	CYP3A4, CP33, CP34, CYP3A, CYP3A3, CYPIIIA3, CYPIIIA4, HLP, NF-25, P450C3, P450PCN1	cytochrome P450, family 3, subfamily A, polypeptide 4 (EC:1.14.13.67 1.14.13.97 1.14.13.32 1.14.13.157)	C00000983
8772	FADD, MORT1	Fas (TNFRSF6)-associated via death domain	C00000983
355	FAS, ALPS1A, APO-1, APT1, CD95, FAS1, FASTM, TNFRSF6	Fas cell surface death receptor	C00000983
836	CASP3, CPP32, CPP32B, SCA-1	caspase 3, apoptosis-related cysteine peptidase (EC:3.4.22.56)	C00000983
7157	TP53, BCC7, LFS1, P53, TRP53	tumor protein p53	C00000983
3553	IL1B, IL-1, IL1-BETA, IL1F2	interleukin 1, beta	C00000970
3569	IL6, BSF2, HGF, HSF, IFNB2, IL-6	interleukin 6 (interferon, beta 2)	C00000970
3576	IL8, CXCL8, GCP-1, GCP1, LECT, LUCT, LYNAP, MDNCF, MONAP, NAF, NAP-1, NAP1	interleukin 8	C00000970
5599	MAPK8, JNK, JNK-46, JNK1, JNK1A2, JNK21B1/2, PRKM8, SAPK1, SAPK1c	mitogen-activated protein kinase 8 (EC:2.7.11.24)	C00000970
5601	MAPK9, JNK-55, JNK2, JNK2A, JNK2ALPHA, JNK2B, JNK2BETA, PRKM9, SAPK, SAPK1a, p54a, p54aSAPK	mitogen-activated protein kinase 9 (EC:2.7.11.24)	C00000970
4318	MMP9, CLG4B, GELB, MANDP2, MMP-9	matrix metallopeptidase 9 (gelatinase B, 92kDa gelatinase, 92kDa type IV collagenase) (EC:3.4.24.35)	C00000970
5743	PTGS2, COX-2, COX2, GRIPGHS, PGG/HS, PGHS-2, PHS-2, hCox-2	prostaglandin-endoperoxide synthase 2 (prostaglandin G/H synthase and cyclooxygenase) (EC:1.14.99.1)	C00000970
7124	TNF, DIF, TNF-alpha, TNFA, TNFSF2	tumor necrosis factor	C00000970
7412	VCAM1, CD106, INCAM-100	vascular cell adhesion molecule 1	C00000970

Related Diseases

Diseases related to proteins in ChEMBL interactions

Diseases related to CTD interactions