KCF-S cluster No. 541 (15 metabolites)

Corresponding Phytochemical cluster No. 38

• Index
• Plant Species
• KEGG BRITE br08003
• Metabolite list (15)
• Human Protein
  / Gene in interactions
• Related Diseases

Plant Species

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Cumulative plant class count

class name	count
asterids	8
rosids	2
Magnoliophyta	1
Spermatophyta	1
eudicotyledons	1

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Cumulative family count

class name	count
Asteraceae	7
Halichondriidae	5
Theonellidae	4
Axinellidae	2
Rutaceae	1
Apiaceae	1
Salicaceae	1
Piperaceae	1
Cupressaceae	1
Corticiaceae	1
Santalaceae	1

KEGG BRITE br08003

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Categories (1)

br08003 Category	# of metabolite
Bisabolanes	1

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metabolites link (2)

br08003 Category	KEGG ID	KNApSAcK ID
Bisabolanes	C09621	C00003103
Bisabolanes	C09621	C00011607

Metabolite list (15)

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
C00003103	(+)-alpha-Bisabolol	CHEMBL519167 CHEMBL491186 CHEMBL477832 CHEMBL1096927 CHEMBL1171719 CHEMBL1561544 CHEMBL2104360		8 / 4 / 13
C00011586	[R-(R*,R*)]-alpha,4-Dimethyl-alpha-(4-methyl-3-pentenyl)-3-cyclohexene-1-methanamine
C00011587	Aminobisabolene / [S-(R*,S*)]-alpha,4-Dimethyl-alpha-(4-methyl-3-pentenyl)-3-cyclohexene-1-methanamine
C00011588	Aminobisabolenol
C00011589	Isoaminobisabolenol b / (+)-Isoaminobisabolenol b
C00011590	Isoaminobisabolenol a / (+)-Isoaminobisabolenol a
C00011599	[S-(R*,R*)]-alpha4-Methyl-alpha4-(4-methyl-3-pentenyl)-1-cyclohexene-1,4-dimethanol
C00011607	(-)-alpha-Bisabolol	CHEMBL519167 CHEMBL491186 CHEMBL477832 CHEMBL1096927 CHEMBL1171719 CHEMBL1561544 CHEMBL2104360		8 / 4 / 13
C00011694	[R-(R*,R*)]-4-(1-Isocyanato-1,5-dimethyl-4-hexenyl)-1-methyl-cyclohexene
C00011695	[R-(R*,R*)]-4-(1-Isocyano-1,5-dimethyl-4-hexenyl)-1-methyl-cyclohexene
C00021667	7-Isothiocyanato-7,8-dihydro-alpha-bisabolene	CHEMBL452682
C00021669	7-Isocyano-7,8-dihydro-a-bisabolene
C00029679	alpha-Bisabolol	CHEMBL519167 CHEMBL491186 CHEMBL477832 CHEMBL1096927 CHEMBL1171719 CHEMBL1561544 CHEMBL2104360	C004497	8 / 4 / 13
C00035098	epi-alpha-Bisabolol / (-)-epi-alpha-Bisabolol	CHEMBL519167 CHEMBL491186 CHEMBL477832 CHEMBL1096927 CHEMBL1171719 CHEMBL1561544 CHEMBL2104360		8 / 4 / 13
C00048620	Axinythiocyanate A / (+)-Axinythiocyanate A

Human Protein / Gene in interactions

8 ChEMBL Protein in interactions

accession	description	class description	KNApSAcK metabolite in interactions	# of diseases (OMIM / KEGG)
P35354	Prostaglandin G/H synthase 2	Oxidoreductase	C00003103 C00011607 C00029679 C00035098	0 / 3
P40763	Signal transducer and activator of transcription 3	Transcription Factor	C00003103 C00011607 C00029679 C00035098	1 / 2
O94782	Ubiquitin carboxyl-terminal hydrolase 1	Enzyme	C00003103 C00011607 C00029679 C00035098	0 / 0
P28482	Mitogen-activated protein kinase 1	Erk	C00003103 C00011607 C00029679 C00035098	0 / 0
P16050	Arachidonate 15-lipoxygenase	Enzyme	C00003103 C00011607 C00029679 C00035098	0 / 0
P08684	Cytochrome P450 3A4	Cytochrome P450 3A4	C00003103 C00011607 C00029679 C00035098	0 / 1
O00255	Menin	Unclassified protein	C00003103 C00011607 C00029679 C00035098	2 / 5
Q03164	Histone-lysine N-methyltransferase 2A	Enzyme	C00003103 C00011607 C00029679 C00035098	1 / 2

Related Diseases

Diseases related to proteins in ChEMBL interactions