KCF-S cluster No. 73 (58 metabolites)

Corresponding Phytochemical cluster No. 15

• Index
• Plant Species
• KEGG BRITE br08003
• Metabolite list (58)
• Human Protein
  / Gene in interactions
• Related Diseases

Plant Species

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Cumulative plant class count

class name	count
rosids	101
Magnoliophyta	11
asterids	8
Liliopsida	6

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Cumulative family count

class name	count
Fabaceae	101
Lauraceae	9
Asteraceae	4
Amaryllidaceae	3
Convolvulaceae	3
Myristicaceae	2
Cyperaceae	2
Xanthorrhoeaceae	1
Gentianaceae	1

KEGG BRITE br08003

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Categories (1)

br08003 Category	# of metabolite
Isoflavanes	5

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metabolites link (5)

br08003 Category	KEGG ID	KNApSAcK ID
Isoflavanes	C10495	C00002544
Isoflavanes	C10507	C00002551
Isoflavanes	C10526	C00002570
Isoflavanes	C10540	C00002583
Isoflavanes	C16225	C00019387

Metabolite list (58)

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
C00002544	Lotisoflavan / 2',4'-Dihydroxy-5,7-dimethoxyisoflavan
C00002551	(-)-Mucronulatol	CHEMBL253474 CHEMBL478971 CHEMBL1087024		5 / 1 / 0
C00002570	Sativan / (-)-Sativan
C00002583	(+)-Vestitol / (3S)-Vestitol / (3S)-3,4-Dihydro-3-(2-hydroxy-4-methoxyphenyl)-2H-1-benzopyran-7-ol	CHEMBL252913 CHEMBL479145
C00008755	4'-Hydroxy-5,7-dimethoxyflavan	CHEMBL397828
C00008756	7-Hydroxy-5,4'-dimethoxyflavan
C00008757	5,7,4'-Trimethoxyflavan	CHEMBL240930
C00008761	4'-Hydroxy-7,3'-dimethoxyflavan
C00008762	3',4'-Dihydroxy-5,7-dimethoxyflavan
C00008763	Diffutidin
C00008773	7-Hydroxy-3',4'-methylenedioxyflavan	CHEMBL407133
C00008774	2'-Hydroxy-7-methoxy-4',5'-methylenedioxyflavan
C00008807	Afzelechin 5,4'-dimethyl ether
C00008814	Catechin 5,7,3'-trimethyl ether	CHEMBL465960
C00008815	Epicatechin 5,7,3'-trimethyl ether	CHEMBL465960
C00008816	Catechin 5,7,4'-trimethyl ether
C00008829	3',4'-Methylenedioxy epicatechin 5,7-dimethyl ether
C00008976	4-Hydroxy-5,7,4'-trimethoxyflavan	CHEMBL1088701
C00009708	Demethylvestitol / 7,2',4'-Trihydroxyisoflavan
C00009709	Isovestitol / 7,4'-Dihydroxy-2'-methoxyisoflavan	CHEMBL252589
C00009710	Neovestitol / 2',4'-Dihydroxy-7-methoxyisoflavan
C00009711	Isosativan / 2'-Hydroxy-7,4'-dimethoxyisoflavan	CHEMBL268317
C00009712	Arvensan / 4'-Hydroxy-7,2'-dimethoxyisoflavan
C00009713	Astraciceran / 7-Hydroxy-2'-methoxy-4',5'-methylenedioxyisoflavan
C00009714	Isomucronulatol / 7,2'-Dihydroxy-3',4'-dimethoxyisoflavan
C00009715	(+-)-Mucronulatol / 7,3'-Dihydroxy-2',4'-dimethoxyisoflavan	CHEMBL253474 CHEMBL478971 CHEMBL1087024		5 / 1 / 0
C00009716	Spherosin / Sphaerosin / (+)-7,4'-Dihydroxy-2',3'-dimethoxyisoflavan
C00009717	Laxifloran / 7,4'-Dihydroxy-2',3'-dimethoxyisoflavan
C00009718	5-Methoxyvestitol / 7,2'-Dihydroxy-5,4'-dimethoxyisoflavan
C00009719	Bryaflavan / 6,7,3'-Trihydroxy-2',4'-dimethoxyisoflavan
C00009720	8-Demethylduartin / 7,8,3'-Trihydroxy-2',4'-dimethoxyisoflavan	CHEMBL1089730
C00009721	Lonchocarpan / 7,4'-Dihydroxy-2',3',6'-trimethoxyisoflavan
C00009722	Duartin / 7,3'-Dihydroxy-8,2',4'-trimethoxyisoflavan	CHEMBL1476155		2 / 0 / 1
C00010029	Methoxyvestitol / (3R)-7,2'-Dihydroxy-4',5'-dimethoxyisoflavan	CHEMBL1087025
C00010030	Isoduartin / (+-)-7,2'-Dihydroxy-8,3',4'-trimethoxyisoflavan	CHEMBL510553
C00010032	(3R)-3',8-Dihydroxyvestitol / (3R)-7,8,2',3'-Tetrahydroxy-4'-methoxyisoflavan	CHEMBL1089729
C00013246	2-(3,5-Dimethoxyphenyl)-3,4-dihydro-7-methoxy-2H-1-benzopyran-5-ol
C00013559	(2S)-4'-Hydroxy-5,7,3'-trimethoxyflavan / (S)-4-(3,4-Dihydro-5,7-dimethoxy-2H-1-benzopyran-2-yl)-2-methoxyphenol
C00018862	7,4'-Dihydroxy-3'-methoxyisoflavan
C00018875	Lespedezol G1 / 7,2',4'-Trihydroxy-5'-methoxyisoflavan
C00018891	Coluteol / (3R)-2',5'-Dihydroxy-7,2',4'-trimethoxyisoflavan	CHEMBL517357
C00018910	Arizonicanol A	CHEMBL592625		1 / 5 / 3
C00018948	(+-)-Vestitol	CHEMBL252913 CHEMBL479145
C00019387	(-)-Vestitol / (3R)-Vestitol	CHEMBL252913 CHEMBL479145
C00019477	(3R)-Colutehydroquinone / (3R)-2',5'-Dihydroxy-7,3',4'-trimethoxyisoflavan
C00019590	8-Methoxyvestitol / (3S)-7,2'-Dihydroxy-8,4'-dimethoxyisoflavan
C00019591	(R)-7-Hydroxy-2',3',4'-trimethoxyisoflavan
C00019671	7,5'-Dihydroxy-2',3',4'-trimethoxyisoflavan
C00019712	(3R)-2'-Hydroxy-7,3',4'-trimethoxyisoflavan
C00019713	(3R)-8,2'-Dihydroxy-7,4'-dimethoxyisoflavan
C00020173	5'-Methoxysativan / 7-Hydroxy-2',4',5'-trimethoxyisoflavan
C00020688	(+)-Mucronulatol / (R)-Mucronulatol	CHEMBL253474 CHEMBL478971 CHEMBL1087024		5 / 1 / 0
C00029556	5,7-Dimethoxy-4'-hydroxyflavan / (+/-)-5,7-Dimethoxy-4'-hydroxyflavan	CHEMBL397828
C00030208	Erycibenin E / (-)-Erycibenin E	CHEMBL241569
C00030209	Erycibenin F / (-)-Erycibenin F	CHEMBL391981
C00047622	(2S,4R)-4,5,6,7-Tetramethoxyflavan / (+)-(2S,4R)-4,5,6,7-Tetramethoxyflavan	CHEMBL1081775
C00047623	(2S,4R)-5,6,7-Trimethoxyflavan-4-ol / (+)-(2S,4R)-5,6,7-Trimethoxyflavan-4-ol	CHEMBL1075891
C00049078	2'-O-Methylvestitol

Human Protein / Gene in interactions

8 ChEMBL Protein in interactions

accession	description	class description	KNApSAcK metabolite in interactions	# of diseases (OMIM / KEGG)
O75496	Geminin	Unclassified protein	C00002551 C00009715 C00020688	0 / 0
P43220	Glucagon-like peptide 1 receptor	Glucagon-like peptide receptor	C00002551 C00009715 C00020688	0 / 0
Q9HC16	DNA dC->dU-editing enzyme APOBEC-3G	Enzyme	C00002551 C00009715 C00020688	0 / 0
Q9UNA4	DNA polymerase iota	Enzyme	C00002551 C00009715 C00020688	0 / 0
O75874	Isocitrate dehydrogenase [NADP] cytoplasmic	Enzyme	C00002551 C00009715 C00020688	1 / 0
P08684	Cytochrome P450 3A4	Cytochrome P450 3A4	C00009722	0 / 1
P37231	Peroxisome proliferator-activated receptor gamma	NR1C3	C00018910	5 / 3
P28482	Mitogen-activated protein kinase 1	Erk	C00009722	0 / 0

Related Diseases

Diseases related to proteins in ChEMBL interactions