PCIDB

KNApSAcK Metabolite C00012467

Index

Metabolite

Species

Human Protein
/ Gene in interactions

Related Diseases

Metabolite

KNApSAcK Entry

id	C00012467
Name	Zerumbone
CAS RN	471-05-6
Standard InChI	InChI=1S/C15H22O/c1-12-6-5-7-13(2)14(16)9-11-15(3,4)10-8-12/h7-9,11H,5-6,10H2,1-4H3/b11-9+,12-8-,13-7+
Standard InChI (Main Layer)	InChI=1S/C15H22O/c1-12-6-5-7-13(2)14(16)9-11-15(3,4)10-8-12/h7-9,11H,5-6,10H2,1-4H3

Cluster

Phytochemical cluster
KCF-S cluster	No. 2272

Link

ChEMBL

By standard InChI
By standard InChI Main Layer	CHEMBL245412

KEGG

By LinkDB

CTD

By CAS RN	C403304

Species

Summary

Plant class

class name	count
Liliopsida	2
asterids	1

Family

family name	count
Zingiberaceae	2
Scrophulariaceae	1

List (3)

* NCBI

KNApSAcK organism	*ID	*family	*plant class	*kingdom
Buddleja globosa	168495	Scrophulariaceae	asterids	Viridiplantae
Zingiber aromaticum	4650	Zingiberaceae	Liliopsida	Viridiplantae
Zingiber zerumbet	311405	Zingiberaceae	Liliopsida	Viridiplantae

Human Protein / Gene in interaction

4 ChEMBL Protein in interactions

accession	description	class description	compound	assay ID (# of activities)	# of diseases (OMIM / KEGG)
P10635	Cytochrome P450 2D6	Cytochrome P450 2D6	CHEMBL245412	CHEMBL1000806 (1)	1 / 0
P08151	Zinc finger protein GLI1	Unclassified protein	CHEMBL245412	CHEMBL972431 (1)	0 / 0
P10070	Zinc finger protein GLI2	Unclassified protein	CHEMBL245412	CHEMBL972432 (1)	1 / 1
P08684	Cytochrome P450 3A4	Cytochrome P450 3A4	CHEMBL245412	CHEMBL1000805 (1)	0 / 1

CTD interaction (59)

compound	gene	gene name	gene description	interaction	interaction type	form	reference pmid
C403304	596	BCL2 Bcl-2 PPP1R50	B-cell CLL/lymphoma 2	zerumbone results in decreased expression of BCL2 mRNA	decreases expression	mRNA	16007145
C403304	597	BCL2A1 ACC-1 ACC-2 BCL2L5 BFL1 GRS HBPA1	BCL2-related protein A1	zerumbone results in decreased expression of BCL2A1 mRNA	decreases expression	mRNA	16007145
C403304	598	BCL2L1 BCL-XL/S BCL2L BCLX BCLXL BCLXS Bcl-X PPP1R52 bcl-xL bcl-xS	BCL2-like 1	zerumbone results in decreased expression of BCL2L1 mRNA	decreases expression	mRNA	16007145
C403304	329	BIRC2 API1 HIAP2 Hiap-2 MIHB RNF48 c-IAP1 cIAP1	baculoviral IAP repeat containing 2	zerumbone results in decreased expression of BIRC2 mRNA	decreases expression	mRNA	16007145
C403304	330	BIRC3 AIP1 API2 CIAP2 HAIP1 HIAP1 MALT2 MIHC RNF49 c-IAP2	baculoviral IAP repeat containing 3	zerumbone results in decreased expression of BIRC3 mRNA	decreases expression	mRNA	16007145
C403304	332	BIRC5 API4 EPR-1	baculoviral IAP repeat containing 5	zerumbone results in decreased expression of BIRC5 mRNA	decreases expression	mRNA	16007145
C403304	595	CCND1 BCL1 D11S287E PRAD1 U21B31	cyclin D1	zerumbone results in decreased expression of CCND1 mRNA	decreases expression	mRNA	16007145
C403304	8837	CFLAR CASH CASP8AP1 CLARP Casper FLAME FLAME-1 FLAME1 FLIP I-FLICE MRIT c-FLIP c-FLIPL c-FLIPR c-FLIPS	CASP8 and FADD-like apoptosis regulator	zerumbone results in decreased expression of CFLAR mRNA	decreases expression	mRNA	16007145
C403304	1147	CHUK IKBKA IKK-alpha IKK1 IKKA NFKBIKA TCF16	conserved helix-loop-helix ubiquitous kinase (EC:2.7.11.10)	zerumbone inhibits the reaction [CHUK protein results in increased activity of [NFKB1 protein binds to RELA protein]]	affects binding / decreases reaction / increases activity	protein	16007145
C403304	1147	CHUK IKBKA IKK-alpha IKK1 IKKA NFKBIKA TCF16	conserved helix-loop-helix ubiquitous kinase (EC:2.7.11.10)	zerumbone inhibits the reaction [TNF protein results in increased activity of CHUK protein]	decreases reaction / increases activity	protein	16007145
C403304	3383	ICAM1 BB2 CD54 P3.58	intercellular adhesion molecule 1	zerumbone results in decreased expression of ICAM1 mRNA	decreases expression	mRNA	16007145
C403304	3551	IKBKB IKK-beta IKK2 IKKB NFKBIKB	inhibitor of kappa light polypeptide gene enhancer in B-cells, kinase beta (EC:2.7.11.10)	zerumbone inhibits the reaction [TNF protein results in increased activity of IKBKB protein]	decreases reaction / increases activity	protein	16007145
C403304	9020	MAP3K14 FTDCR1B HS HSNIK NIK	mitogen-activated protein kinase kinase kinase 14 (EC:2.7.11.25)	zerumbone inhibits the reaction [MAP3K14 protein results in increased activity of [NFKB1 protein binds to RELA protein]]	affects binding / decreases reaction / increases activity	protein	16007145
C403304	4314	MMP3 CHDS6 MMP-3 SL-1 STMY STMY1 STR1	matrix metallopeptidase 3 (stromelysin 1, progelatinase) (EC:3.4.24.17)	zerumbone inhibits the reaction [DDT results in increased expression of MMP3 mRNA]	decreases reaction / increases expression	mRNA	20865247
C403304	4314	MMP3 CHDS6 MMP-3 SL-1 STMY STMY1 STR1	matrix metallopeptidase 3 (stromelysin 1, progelatinase) (EC:3.4.24.17)	zerumbone inhibits the reaction [Tetrachlorodibenzodioxin results in increased expression of MMP3 mRNA]	decreases reaction / increases expression	mRNA	20865247
C403304	4318	MMP9 CLG4B GELB MANDP2 MMP-9	matrix metallopeptidase 9 (gelatinase B, 92kDa gelatinase, 92kDa type IV collagenase) (EC:3.4.24.35)	zerumbone results in decreased expression of MMP9 mRNA	decreases expression	mRNA	16007145
C403304	4609	MYC MRTL MYCC bHLHe39 c-Myc	v-myc avian myelocytomatosis viral oncogene homolog	zerumbone results in decreased expression of MYC mRNA	decreases expression	mRNA	16007145
C403304	4790	NFKB1 EBP-1 KBF1 NF-kB1 NF-kappa-B NF-kappaB NFKB-p105 NFKB-p50 NFkappaB p105 p50	nuclear factor of kappa light polypeptide gene enhancer in B-cells 1	zerumbone inhibits the reaction [CHUK protein results in increased activity of [NFKB1 protein binds to RELA protein]]	affects binding / decreases reaction / increases activity	protein	16007145
C403304	4790	NFKB1 EBP-1 KBF1 NF-kB1 NF-kappa-B NF-kappaB NFKB-p105 NFKB-p50 NFkappaB p105 p50	nuclear factor of kappa light polypeptide gene enhancer in B-cells 1	zerumbone inhibits the reaction [Hydrogen Peroxide results in increased activity of [NFKB1 protein binds to RELA protein]]	affects binding / decreases reaction / increases activity	protein	16007145
C403304	4790	NFKB1 EBP-1 KBF1 NF-kB1 NF-kappa-B NF-kappaB NFKB-p105 NFKB-p50 NFkappaB p105 p50	nuclear factor of kappa light polypeptide gene enhancer in B-cells 1	zerumbone inhibits the reaction [MAP3K14 protein results in increased activity of [NFKB1 protein binds to RELA protein]]	affects binding / decreases reaction / increases activity	protein	16007145
C403304	4790	NFKB1 EBP-1 KBF1 NF-kB1 NF-kappa-B NF-kappaB NFKB-p105 NFKB-p50 NFkappaB p105 p50	nuclear factor of kappa light polypeptide gene enhancer in B-cells 1	zerumbone inhibits the reaction [Okadaic Acid results in increased activity of [NFKB1 protein binds to RELA protein]]	affects binding / decreases reaction / increases activity	protein	16007145
C403304	4790	NFKB1 EBP-1 KBF1 NF-kB1 NF-kappa-B NF-kappaB NFKB-p105 NFKB-p50 NFkappaB p105 p50	nuclear factor of kappa light polypeptide gene enhancer in B-cells 1	zerumbone inhibits the reaction [Tetradecanoylphorbol Acetate results in increased activity of [NFKB1 protein binds to RELA protein]]	affects binding / decreases reaction / increases activity	protein	16007145
C403304	4790	NFKB1 EBP-1 KBF1 NF-kB1 NF-kappa-B NF-kappaB NFKB-p105 NFKB-p50 NFkappaB p105 p50	nuclear factor of kappa light polypeptide gene enhancer in B-cells 1	zerumbone inhibits the reaction [TNF protein results in increased activity of [NFKB1 protein binds to RELA protein]]	affects binding / decreases reaction / increases activity	protein	16007145
C403304	4790	NFKB1 EBP-1 KBF1 NF-kB1 NF-kappa-B NF-kappaB NFKB-p105 NFKB-p50 NFkappaB p105 p50	nuclear factor of kappa light polypeptide gene enhancer in B-cells 1	zerumbone inhibits the reaction [TNFRSF1A protein results in increased activity of [NFKB1 protein binds to RELA protein]]	affects binding / decreases reaction / increases activity	protein	16007145
C403304	4790	NFKB1 EBP-1 KBF1 NF-kB1 NF-kappa-B NF-kappaB NFKB-p105 NFKB-p50 NFkappaB p105 p50	nuclear factor of kappa light polypeptide gene enhancer in B-cells 1	zerumbone inhibits the reaction [TRADD protein results in increased activity of [NFKB1 protein binds to RELA protein]]	affects binding / decreases reaction / increases activity	protein	16007145
C403304	4790	NFKB1 EBP-1 KBF1 NF-kB1 NF-kappa-B NF-kappaB NFKB-p105 NFKB-p50 NFkappaB p105 p50	nuclear factor of kappa light polypeptide gene enhancer in B-cells 1	zerumbone inhibits the reaction [TRAF2 protein results in increased activity of [NFKB1 protein binds to RELA protein]]	affects binding / decreases reaction / increases activity	protein	16007145
C403304	4790	NFKB1 EBP-1 KBF1 NF-kB1 NF-kappa-B NF-kappaB NFKB-p105 NFKB-p50 NFkappaB p105 p50	nuclear factor of kappa light polypeptide gene enhancer in B-cells 1	zerumbone results in decreased activity of [NFKB1 protein binds to RELA protein]	affects binding / decreases activity	protein	16007145
C403304	4792	NFKBIA IKBA MAD-3 NFKBI	nuclear factor of kappa light polypeptide gene enhancer in B-cells inhibitor, alpha	zerumbone inhibits the reaction [TNF protein results in increased degradation of NFKBIA protein]	decreases reaction / increases degradation	protein	16007145
C403304	4792	NFKBIA IKBA MAD-3 NFKBI	nuclear factor of kappa light polypeptide gene enhancer in B-cells inhibitor, alpha	zerumbone inhibits the reaction [TNF protein results in increased phosphorylation of NFKBIA protein]	decreases reaction / increases phosphorylation	protein	16007145
C403304	142	PARP1 ADPRT ADPRT_1 ADPRT1 ARTD1 PARP PARP-1 PPOL pADPRT-1	poly (ADP-ribose) polymerase 1 (EC:2.4.2.30)	zerumbone results in increased cleavage of PARP1 protein	increases cleavage	protein	16007145
C403304	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)	zerumbone inhibits the reaction [DDT results in increased expression of PTGS2 mRNA]	decreases reaction / increases expression	mRNA	20865247
C403304	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)	zerumbone inhibits the reaction [Tetrachlorodibenzodioxin results in increased expression of PTGS2 mRNA]	decreases reaction / increases expression	mRNA	20865247
C403304	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)	zerumbone results in decreased expression of PTGS2 mRNA	decreases expression	mRNA	16007145
C403304	5970	RELA NFKB3 p65	v-rel avian reticuloendotheliosis viral oncogene homolog A	zerumbone inhibits the reaction [CHUK protein results in increased activity of [NFKB1 protein binds to RELA protein]]	affects binding / decreases reaction / increases activity	protein	16007145
C403304	5970	RELA NFKB3 p65	v-rel avian reticuloendotheliosis viral oncogene homolog A	zerumbone inhibits the reaction [Hydrogen Peroxide results in increased activity of [NFKB1 protein binds to RELA protein]]	affects binding / decreases reaction / increases activity	protein	16007145
C403304	5970	RELA NFKB3 p65	v-rel avian reticuloendotheliosis viral oncogene homolog A	zerumbone inhibits the reaction [MAP3K14 protein results in increased activity of [NFKB1 protein binds to RELA protein]]	affects binding / decreases reaction / increases activity	protein	16007145
C403304	5970	RELA NFKB3 p65	v-rel avian reticuloendotheliosis viral oncogene homolog A	zerumbone inhibits the reaction [Okadaic Acid results in increased activity of [NFKB1 protein binds to RELA protein]]	affects binding / decreases reaction / increases activity	protein	16007145
C403304	5970	RELA NFKB3 p65	v-rel avian reticuloendotheliosis viral oncogene homolog A	zerumbone inhibits the reaction [Tetradecanoylphorbol Acetate results in increased activity of [NFKB1 protein binds to RELA protein]]	affects binding / decreases reaction / increases activity	protein	16007145
C403304	5970	RELA NFKB3 p65	v-rel avian reticuloendotheliosis viral oncogene homolog A	zerumbone inhibits the reaction [TNF protein results in increased acetylation of RELA protein]	decreases reaction / increases acetylation	protein	16007145
C403304	5970	RELA NFKB3 p65	v-rel avian reticuloendotheliosis viral oncogene homolog A	zerumbone inhibits the reaction [TNF protein results in increased activity of [NFKB1 protein binds to RELA protein]]	affects binding / decreases reaction / increases activity	protein	16007145
C403304	5970	RELA NFKB3 p65	v-rel avian reticuloendotheliosis viral oncogene homolog A	zerumbone inhibits the reaction [TNF protein results in increased phosphorylation of and affects the localization of RELA protein]	affects localization / decreases reaction / increases phosphorylation	protein	16007145
C403304	5970	RELA NFKB3 p65	v-rel avian reticuloendotheliosis viral oncogene homolog A	zerumbone inhibits the reaction [TNFRSF1A protein results in increased activity of [NFKB1 protein binds to RELA protein]]	affects binding / decreases reaction / increases activity	protein	16007145
C403304	5970	RELA NFKB3 p65	v-rel avian reticuloendotheliosis viral oncogene homolog A	zerumbone inhibits the reaction [TRADD protein results in increased activity of [NFKB1 protein binds to RELA protein]]	affects binding / decreases reaction / increases activity	protein	16007145
C403304	5970	RELA NFKB3 p65	v-rel avian reticuloendotheliosis viral oncogene homolog A	zerumbone inhibits the reaction [TRAF2 protein results in increased activity of [NFKB1 protein binds to RELA protein]]	affects binding / decreases reaction / increases activity	protein	16007145
C403304	5970	RELA NFKB3 p65	v-rel avian reticuloendotheliosis viral oncogene homolog A	zerumbone results in decreased activity of [NFKB1 protein binds to RELA protein]	affects binding / decreases activity	protein	16007145
C403304	7124	TNF DIF TNF-alpha TNFA TNFSF2	tumor necrosis factor	zerumbone inhibits the reaction [TNF protein results in increased acetylation of RELA protein]	decreases reaction / increases acetylation	protein	16007145
C403304	7124	TNF DIF TNF-alpha TNFA TNFSF2	tumor necrosis factor	zerumbone inhibits the reaction [TNF protein results in increased activity of CHUK protein]	decreases reaction / increases activity	protein	16007145
C403304	7124	TNF DIF TNF-alpha TNFA TNFSF2	tumor necrosis factor	zerumbone inhibits the reaction [TNF protein results in increased activity of IKBKB protein]	decreases reaction / increases activity	protein	16007145
C403304	7124	TNF DIF TNF-alpha TNFA TNFSF2	tumor necrosis factor	zerumbone inhibits the reaction [TNF protein results in increased activity of [NFKB1 protein binds to RELA protein]]	affects binding / decreases reaction / increases activity	protein	16007145
C403304	7124	TNF DIF TNF-alpha TNFA TNFSF2	tumor necrosis factor	zerumbone inhibits the reaction [TNF protein results in increased degradation of NFKBIA protein]	decreases reaction / increases degradation	protein	16007145
C403304	7124	TNF DIF TNF-alpha TNFA TNFSF2	tumor necrosis factor	zerumbone inhibits the reaction [TNF protein results in increased phosphorylation of and affects the localization of RELA protein]	affects localization / decreases reaction / increases phosphorylation	protein	16007145
C403304	7124	TNF DIF TNF-alpha TNFA TNFSF2	tumor necrosis factor	zerumbone inhibits the reaction [TNF protein results in increased phosphorylation of NFKBIA protein]	decreases reaction / increases phosphorylation	protein	16007145
C403304	7132	TNFRSF1A CD120a FPF MS5 TBP1 TNF-R TNF-R-I TNF-R55 TNFAR TNFR1 TNFR1-d2 TNFR55 TNFR60 p55 p55-R p60	tumor necrosis factor receptor superfamily, member 1A	zerumbone inhibits the reaction [TNFRSF1A protein results in increased activity of [NFKB1 protein binds to RELA protein]]	affects binding / decreases reaction / increases activity	protein	16007145
C403304	8717	TRADD Hs.89862	TNFRSF1A-associated via death domain	zerumbone inhibits the reaction [TRADD protein results in increased activity of [NFKB1 protein binds to RELA protein]]	affects binding / decreases reaction / increases activity	protein	16007145
C403304	7185	TRAF1 EBI6 MGC:10353	TNF receptor-associated factor 1	zerumbone results in decreased expression of TRAF1 mRNA	decreases expression	mRNA	16007145
C403304	7186	TRAF2 MGC:45012 TRAP TRAP3	TNF receptor-associated factor 2	zerumbone inhibits the reaction [TRAF2 protein results in increased activity of [NFKB1 protein binds to RELA protein]]	affects binding / decreases reaction / increases activity	protein	16007145
C403304	7422	VEGFA MVCD1 VEGF VPF	vascular endothelial growth factor A	zerumbone inhibits the reaction [DDT results in increased expression of VEGFA mRNA]	decreases reaction / increases expression	mRNA	20865247
C403304	7422	VEGFA MVCD1 VEGF VPF	vascular endothelial growth factor A	zerumbone inhibits the reaction [Tetrachlorodibenzodioxin results in increased expression of VEGFA mRNA]	decreases reaction / increases expression	mRNA	20865247
C403304	331	XIAP API3 BIRC4 IAP-3 ILP1 MIHA XLP2 hIAP-3 hIAP3	X-linked inhibitor of apoptosis	zerumbone results in decreased expression of XIAP mRNA	decreases expression	mRNA	16007145

Related Disease

Diseases related to proteins in ChEMBL interactions

OMIM (2)

OMIM	preferred title	UniProt
#608902	Drug metabolism, poor, cyp2d6-related	P10635
#610829	Holoprosencephaly 9; hpe9	P10070

KEGG DISEASE (2)

KEGG	disease name	UniProt
H00036	Osteosarcoma	P08684 (marker)
H00267	Holoprosencephaly (HPE)	P10070 (related)

Diseases related to CTD interactions

1 disease from interactions of metabolites

MeSH disease	OMIM	compound	disease name	evidence type	reference pmid
D008113		C403304	Liver Neoplasms	therapeutic	20452335

KNApSAcK Metabolite C00012467

Index Metabolite Species Human Protein / Gene in interactions Related Diseases

Metabolite

KNApSAcK Entry

Cluster

Link

ChEMBL

KEGG

CTD

Species

Summary

Plant class

Family

List (3)

* NCBI

Human Protein / Gene in interaction

4 ChEMBL Protein in interactions

CTD interaction (59)

Related Disease

Diseases related to proteins in ChEMBL interactions

OMIM (2)

KEGG DISEASE (2)

Diseases related to CTD interactions

1 disease from interactions of metabolites

Index

Metabolite

Species

Human Protein
/ Gene in interactions

Related Diseases