KCF-S cluster No. 358 (20 metabolites)

Corresponding Phytochemical cluster No. 38

• Index
• Plant Species
• KEGG BRITE br08003
• Metabolite list (20)
• Human Protein
  / Gene in interactions
• Related Diseases

Plant Species

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Cumulative plant class count

class name	count
asterids	26
Embryophyta	5

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Cumulative family count

class name	count
Asteraceae	26
Frullaniaceae	5

KEGG BRITE br08003

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Categories (2)

br08003 Category	# of metabolite
Others	1
Eudesmanes	1

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metabolites link (2)

br08003 Category	KEGG ID	KNApSAcK ID
Others	C09408	C00003258
Eudesmanes	C09289	C00012893

Metabolite list (20)

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
C00003258	Eremofrullanolide
C00012893	Eupatal / Alant camphor / Inula camphor / (+)-Alantolactone / Elecampane camphor	CHEMBL8831 CHEMBL136356 CHEMBL1592975	C004363	5 / 21 / 50	10 / 0
C00012894	1beta-Hydroxyalantolactone / [3aR-(3aalpha,5beta,8beta,8abeta,9aalpha)]-3a,5,6,7,8,8a,9,9a-Octahydro-8-hydroxy-5,8a-dimethyl-3-methylenenaphtho[2,3-b]furan-2(3H)-one
C00012895	2alpha-Hydroxy alantolactone	CHEMBL486020	C044996
C00012896	2-Oxoalantolactone / [3aR-(3aalpha,5beta,8abeta,9aalpha)]-3,3a,5,6,8,8a,9,9a-Octahydro-5,8a-dimethyl-3-methylenenaphtho[2,3-b]furan-2,7-dione
C00017326	Dugesialactone / [3aS-(3aalpha,4aalpha,5alpha,9aalpha)]-3a,4,4a,5,6,7,9,9a-Octahydro-4a,5-dimethyl-3-methylene-naphtho[2,3-b]furan-2(3H)-one
C00017327	Xanthanodiene / [3aR-(3aalpha,4abeta,5beta,9aalpha)]-3a,4,4a,5,6,7,9,9a-octahydro-4a,5-dimethyl-3-methylene-naphtho[2,3-b]furan-2(3H)-one
C00017328	2alpha-Hydroxyxanthanodiene / [3aR-(3aalpha,4abeta,5beta,7alpha,9aalpha)]-3a,4,4a,5,6,7,9,9a-Octahydro-7-hydroxy-4a,5-dimethyl-3-methylene-naphtho[2,3-b]furan-2(3H)-one
C00017329	3beta-Hydroxyxanthanodiene / [3aR-(3aalpha,4abeta,5beta,6beta,9aalpha)]-3a,4,4a,5,6,7,9,9a-octahydro-6-hydroxy-4a,5-dimethyl-3-methylene-naphtho[2,3-b]furan-2(3H)-one
C00017330	3-Oxoxanthanodiene / [3aR-(3aalpha,4abeta,5beta,9aalpha)]-3a,4a,5,7,9,9a-Hexahydro-4a,5-dimethyl-3-methylene-naphtho[2,3-b]furan-2,6(3H,4H)-dione
C00017332	[3aR-(3aalpha,4abeta,5beta,6beta,9aalpha)]-3a,4,4a,5,6,7,8,9a-Octahydro-6-hydroxy-4a,5-dimethyl-3-methylene-naphtho[2,3-b]furan-2(3H)-one
C00017333	[3aR-(3aalpha,4abeta,5beta,9aalpha)]-3a,4a,5,7,8,9a-Hexahydro-4a,5-dimethyl-3-methylene-naphtho[2,3-b]furan-2,6(3H,4H)-dione
C00017439	2-Oxo-eremophila-1(10),11(13)-dien-12,8beta-olide
C00020883	[3aR-(3aalpha,5alpha,7alpha,7aalpha,8alpha,9abeta)]-3a,5,6,7,7a,8,9,9a-Octahydro-5,7-dihydroxy-5,8-dimethyl-3-methylene-azuleno[6,5-b]furan-2(3H)-one
C00020925	[3aR-(3aalpha,5alpha,7aalpha,8alpha,9abeta)]-3a,5,6,7,7a,8,9,9a-Octahydro-5-hydroxy-5,8-dimethyl-3-methylene-azuleno[6,5-b]furan-2(3H)-one
C00021011	5alpha-Hydroxy-3,4-dihydroachalensolide
C00021012	[3aR-(3aalpha,4abeta,5beta,9aalpha)]-3a,4,4a,5,6,7,8,9a-Octahydro-4a,5-dimethyl-3-methylene-naphtho[2,3-b]furan-2(3H)-one
C00021714	(4S,5S,7R,8R)-9,11(13)-Ratibidadien-12,8-olide
C00021715	(4S,5S,7R,8R)-10(14),11(13)-Ratibidadien-12,8-olide
C00029561	5-Epidilatanolide B

Human Protein / Gene in interactions

5 ChEMBL Protein in interactions

accession	description	class description	KNApSAcK metabolite in interactions	# of diseases (OMIM / KEGG)
P04637	Cellular tumor antigen p53	Transcription Factor	C00012893	7 / 37
P02545	Prelamin-A/C	Unclassified protein	C00012893	11 / 10
P11473	Vitamin D3 receptor	NR1I1	C00012893	2 / 3
P03372	Estrogen receptor	NR3A1	C00012893	1 / 1
P08684	Cytochrome P450 3A4	Cytochrome P450 3A4	C00012893	0 / 1

10 Gene in CTD interactions

gene	gene name	gene description	KNApSAcK metabolite in interactions
578	BAK1, BAK, BAK-LIKE, BCL2L7, CDN1	BCL2-antagonist/killer 1	C00012893
581	BAX, BCL2L4	BCL2-associated X protein	C00012893
596	BCL2, Bcl-2, PPP1R50	B-cell CLL/lymphoma 2	C00012893
637	BID, FP497	BH3 interacting domain death agonist	C00012893
836	CASP3, CPP32, CPP32B, SCA-1	caspase 3, apoptosis-related cysteine peptidase (EC:3.4.22.56)	C00012893
841	CASP8, ALPS2B, CAP4, Casp-8, FLICE, MACH, MCH5	caspase 8, apoptosis-related cysteine peptidase (EC:3.4.22.61)	C00012893
842	CASP9, APAF-3, APAF3, ICE-LAP6, MCH6, PPP1R56	caspase 9, apoptosis-related cysteine peptidase (EC:3.4.22.62)	C00012893
142	PARP1, ADPRT, ADPRT_1, ADPRT1, ARTD1, PARP, PARP-1, PPOL, pADPRT-1	poly (ADP-ribose) polymerase 1 (EC:2.4.2.30)	C00012893
5970	RELA, NFKB3, p65	v-rel avian reticuloendotheliosis viral oncogene homolog A	C00012893
7157	TP53, BCC7, LFS1, P53, TRP53	tumor protein p53	C00012893

Related Diseases

Diseases related to proteins in ChEMBL interactions