KCF-S cluster No. 69 (61 metabolites)

Corresponding Phytochemical cluster No. 38

• Index
• Plant Species
• KEGG BRITE br08003
• Metabolite list (61)
• Human Protein
  / Gene in interactions
• Related Diseases

Plant Species

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Cumulative plant class count

class name	count
asterids	115
Embryophyta	8
Magnoliophyta	3

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Cumulative family count

class name	count
Asteraceae	115
Frullaniaceae	5
Scapaniaceae	3
Magnoliaceae	2
Lauraceae	1
Coriolaceae	1

KEGG BRITE br08003

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Categories (2)

br08003 Category	# of metabolite
Eudesmanes	6
Guaianolide	2

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metabolites link (8)

br08003 Category	KEGG ID	KNApSAcK ID
Eudesmanes	C09383	C00003241
Eudesmanes	C09384	C00003242
Guaianolide	C09453	C00003286
Eudesmanes	C09470	C00003296
Eudesmanes	C09484	C00003306
Eudesmanes	C09488	C00003310
Guaianolide	C09530	C00003351
Eudesmanes	C09544	C00003363

Metabolite list (61)

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
C00003241	alpha-Cyclocostunolide	CHEMBL218788	C002603
C00003242	(+)-beta-Cyclocostunolide / beta-Cyclocostunolide[3aS-(3aalpha,5abeta,9aalpha,9bbeta)]-Decahydro-5a-methyl-3,9-bis(methylene)-naphtho[1,2-b]furan-2(3H)-one
C00003286	Florilenalin
C00003296	Granilin	CHEMBL1912055
C00003306	Isohelenin / Isoalantolactone / Isoallantolactone	CHEMBL273254 CHEMBL137803 CHEMBL1410671 CHEMBL1451900 CHEMBL2000732	C032787	6 / 4 / 5
C00003310	Ivalin / [3aR-(3aalpha,4aalpha,7alpha,8abeta,9aalpha)]-Decahydro-7-hydroxy-8a-methyl-3,5-bis(methylene)-naphtho[2,3-b]furan-2(3H)-one	CHEMBL1644108 CHEMBL1974789	C049171
C00003351	Pleniradin
C00003363	Balchanin / Santamarin / Santamarine	CHEMBL89311 CHEMBL366059	C016722	3 / 0 / 0
C00012420	Crispolide
C00012865	Ivasperin / Ivasperine / [3aR-(3aalpha,4aalpha,7alpha,8beta,8abeta,9aalpha)]-Decahydro-7,8-dihydroxy-8a-methyl-3,5-bis(methylene)-naphtho[2,3-b]furan-2(3H)-one
C00012871	Pulchellin C / [3aR-(3aalpha,4aalpha,6beta,7alpha,8abeta,9aalpha)]-Decahydro-6,7-dihydroxy-8a-methyl-3,5-bis(methylene)-naphtho[2,3-b]furan-2(3H)-one	CHEMBL402449
C00012879	Isoalloalantolactone / (+)-Isoalloalantolactone / [3aR-(3aalpha,4aalpha,8abeta,9aalpha)]-3a,4,4a,7,8,8a,9,9a-Octahydro-5,8a-dimethyl-3-methylenenaphtho[2,3-b]furan-2(3H)-one
C00012880	Diplophyllolide A / [3aS-(3aalpha,4aalpha,8abeta,9aalpha)]-3a,4,4a,7,8,8a,9,9a-Octahydro-5,8a-dimethyl-3-methylenenaphtho[2,3-b]furan-2(3H)-one
C00012912	Pinnatifidin (Helenium) / Naphtho[2,3-b]furan-2,7-dione / [3aR-(3aalpha,4aalpha,8abeta,9aalpha)]-3,3a,4,4a,8,8a,9,9a-Octahydro-5,8a-dimethyl-3-methylenepinnatifidin	CHEMBL1971944
C00012913	Isotelekin / (+)-Isotelekin	CHEMBL2332641
C00012923	15-Hydroxyisoalloalantolactone / [3aR-(3aalpha,4aalpha,8abeta,9aalpha)]-3a,4,4a,7,8,8a,9,9a-Octahydro-5-(hydroxymethyl)-8a-methyl-3-methylenenaphtho[2,3-b]furan-2(3H)-one
C00012927	Inunal / [3aR-(3aalpha,4aalpha,8abeta,9aalpha)]-2,3,3a,4,4a,7,8,8a,9,9a-Decahydro-8a-methyl-3-methylene-2-oxonaphtho[2,3-b]furan-5-carboxaldehyde
C00012963	Ludovicin B / [3aS-(3aalpha,5abeta,6alpha,8alpha,9aalpha,9bbeta)]-Decahydro-6,8-dihydroxy-5a-methyl-3,9-bis(methylene)-naphtho[1,2-b]furan-2(3H)-one	CHEMBL189854 CHEMBL362570		3 / 0 / 0
C00012966	Ridentin B / (+)-Ridentin B	CHEMBL189854 CHEMBL362570		3 / 0 / 0
C00012974	8alpha-Hydroxybalchanin / [3aR-(3aalpha,4alpha,5abeta,6beta,9aalpha,9bbeta)]-3a,4,5,5a,6,7,9a,9b-Octahydro-4,6-dihydroxy-5a,9-dimethyl-3-methylenenaphtho[1,2-b]furan-2(3H)-one
C00012981	[3aR-(3aalpha,4alpha,5abeta,6alpha,9aalpha,9bbeta)]-Decahydro-4,6-dihydroxy-5a-methyl-3,9-bis(methylene)-naphtho[1,2-b]furan-2(3H)-one	CHEMBL449594
C00012988	1alpha,9alpha-Dihydroxy-alpha-cyclocostunolide / [3aS-(3aalpha,5alpha,5abeta,6alpha,9aalpha,9bbeta)]-3a,4,5,5a,6,7,9a,9b-Octahydro-5,6-dihydroxy-5a,9-dimethyl-3-methylenenaphtho[1,2-b]furan-2(3H)-one
C00012989	[3aS-(3aalpha,5beta,5abeta,6beta,9aalpha,9bbeta)]-Decahydro-5,6-dihydroxy-5a-methyl-3,9-bis(methylene)-naphtho[1,2-b]furan-2(3H)-one
C00013032	ent-cis-beta-Cyclocostunolide / [3aR-(3aalpha,5abeta,9abeta,9bbeta)]-Decahydro-5a-methyl-3,9-bis(methylene)naphtho[1,2-b]furan-2(3H)-one
C00013033	Critonilide / [3aR-(3aalpha,5aalpha,9abeta,9balpha)]-Decahydro-5a-methyl-3,9-bis(methylene)naphtho[1,2-b]furan-2(3H)-one
C00013034	(+)-beta-Frullanolide / [3aR-(3aalpha,5abeta,9aalpha,9balpha)]-Decahydro-5a-methyl-3,9-bis(methylene)naphtho[1,2-b]furan-2(3H)-one
C00013035	Morifolin B / [3aS-(3aalpha,5aalpha,9aalpha,9bbeta)]-Decahydro-5a-methyl-3,9-bis(methylene)naphtho[1,2-b]furan-2(3H)-one
C00013040	Reynosin / Reinosin / (+)-Reynosin	CHEMBL272178	C016715
C00013223	Douglanin / Douglanine / [3aS-(3aalpha,5abeta,6alpha,9aalpha,9bbeta)]-3a,4,5,5a,6,7,9a,9b-Octahydro-6-hydroxy-5a,9-dimethyl-3-methylenenaphtho[1,2-b]furan-2(3H)-one	CHEMBL89311 CHEMBL366059		3 / 0 / 0
C00020469	Isopyrethroidinin	CHEMBL190347		3 / 0 / 0
C00020477	Cumambrin B	CHEMBL191331	C116964	3 / 0 / 0
C00020483	9,10-Dihydroxy-3,11(13)-guaiadien-12,6-olide
C00020541	Grosheiminol
C00020722	4alpha-Hydroxyguaia-10(14),11(13)-dien-12,6a-olide	CHEMBL507441 CHEMBL2206435
C00020724	Maximilianin / Cumambranolide / 8-Desoxycumambrin B
C00020728	Trifloculoside
C00020927	(-)-Helenium lactone	CHEMBL1163771 CHEMBL1644107
C00020928	[3aR-(3aalpha,4aalpha,5alpha,7abeta,9abeta)]-3a,4,4a,5,6,7,7a,9a-Octahydro-5-hydroxy-5,8-dimethyl-3-methylene-azuleno[6,5-b]furan-2(3H)-one	CHEMBL1163771 CHEMBL1644107
C00020933	2-Deoxypleniradin	CHEMBL1912037
C00020934	1-EpiInuviscolide	CHEMBL521960 CHEMBL1911141 CHEMBL1912052
C00020935	Inuviscolide	CHEMBL521960 CHEMBL1911141 CHEMBL1912052
C00020937	8-Epiinuviscolide	CHEMBL521960 CHEMBL1911141 CHEMBL1912052
C00020938	4,8-Dipiinuviscolide	CHEMBL521960 CHEMBL1911141 CHEMBL1912052
C00020960	11,13-Dehydrocarolenalin
C00021009	4beta,14-Dihydrozaluzanin C
C00021013	5,10-bis-epi-Isoalantolactone	CHEMBL273254 CHEMBL137803 CHEMBL1410671 CHEMBL1451900 CHEMBL2000732		6 / 4 / 5
C00021102	2alpha-Hydroxy-eudesm-3,11(13)-dien-12,8beta-olide
C00021696	Asperilin	CHEMBL272445
C00021698	8-epi-Isovangustin
C00021707	4-epi-Isoinuviscolide	CHEMBL1163771 CHEMBL1644107
C00021912	(-)-Deoxocrispolide
C00029526	4-epi-Isoinuviscolide
C00033594	Deacetylludalbin / 8alpha-Hydroxydouglanin
C00033633	Altissin / (-)-Altissin	CHEMBL512455 CHEMBL450807
C00034258	Sivasinolide	CHEMBL512455 CHEMBL450807
C00035781	15-O-Acetylamphoricarpolide
C00035803	Amphoricarpolide / (+)-Amphoricarpolide
C00036539	3beta,4alpha-Dihydroxyguaia-11(13),10(14)-dien-12,6alpha-olide
C00044694	Deacetyl-beta-cyclopyrethrosin	CHEMBL510333 CHEMBL468246 CHEMBL1092158
C00044741	Eleganolactone A	CHEMBL510333 CHEMBL468246 CHEMBL1092158
C00049873	FLabellin

Human Protein / Gene in interactions

9 ChEMBL Protein in interactions

accession	description	class description	KNApSAcK metabolite in interactions	# of diseases (OMIM / KEGG)
P19838	Nuclear factor NF-kappa-B p105 subunit	Transcription Factor	C00003363 C00012963 C00012966 C00013223 C00020469 C00020477	0 / 0
Q00653	Nuclear factor NF-kappa-B p100 subunit	Transcription Factor	C00003363 C00012963 C00012966 C00013223 C00020469 C00020477	0 / 0
Q04206	Transcription factor p65	Transcription Factor	C00003363 C00012963 C00012966 C00013223 C00020469 C00020477	0 / 0
P33261	Cytochrome P450 2C19	Cytochrome P450 2C19	C00003306 C00021013	1 / 1
P03372	Estrogen receptor	NR3A1	C00003306 C00021013	1 / 1
P08684	Cytochrome P450 3A4	Cytochrome P450 3A4	C00003306 C00021013	0 / 1
Q9NUW8	Tyrosyl-DNA phosphodiesterase 1	Enzyme	C00003306 C00021013	1 / 1
P11712	Cytochrome P450 2C9	Cytochrome P450 2C9	C00003306 C00021013	0 / 1
P10635	Cytochrome P450 2D6	Cytochrome P450 2D6	C00003306 C00021013	1 / 0

Related Diseases

Diseases related to proteins in ChEMBL interactions