phytochemical cluster No. 46 (84 metabolites)

• Index
• Plant Species
• KEGG BRITE br08003
• KCF-S cluster (5)
• Metabolite list (84)
• Human Protein
  / Gene in interactions
• Related Diseases

Plant Species

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Cumulative plant class count

class name	count
asterids	59
Spermatophyta	23
Liliopsida	15
rosids	12
Embryophyta	5
Magnoliophyta	4

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Cumulative family count (Top 20)

class name	count
Asteraceae	20
Lamiaceae	16
Acanthaceae	13
Pinaceae	12
Zingiberaceae	12
Solanaceae	8
Cupressaceae	6
Jungermanniaceae	5
Aristolochiaceae	4
Cistaceae	4
Poaceae	3
Euphorbiaceae	2
Fabaceae	2
Cucurbitaceae	2
Taxaceae	2
Podocarpaceae	2
Polemoniaceae	2
Sapindaceae	1
Phaeosphaeriaceae	1
Araucariaceae	1

KEGG BRITE br08003

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Categories (1)

br08003 Category	# of metabolite
Labdanes	7

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metabolites link (7)

br08003 Category	KEGG ID	KNApSAcK ID
Labdanes	C11901	C00000876
Labdanes	C06089	C00000880
Labdanes	C09183	C00000894
Labdanes	C11902	C00000899
Labdanes	C09124	C00003449
Labdanes	C20214	C00023362
Labdanes	C17498	C00034848

KCF-S cluster (5)

KCF-S ID	# of metabolite
No. 118	37
No. 256	23
No. 660	13
No. 1300	8
No. 4186	3

Metabolite list (84)

KNApSAcK ID	name	ChEMBL link	CTD link	# of proteins in ChEMBL interaction / related OMIM / related KEGG DISEASE	# of genes in CTD interaction / related diseases	KCF-S cluster	figure
C00000875	Labdenediol / 13E-Labdene-8alpha,15-diol	CHEMBL589839 CHEMBL1644112				No. 118
C00032497	(+)-(4->2)-abeo-Kolavelool-3-oic acid					No. 118
C00032496	Deacetylrigidusol / (-)-Deacetylrigidusol					No. 118
C00000888	Peregrinol (diterpene)	CHEMBL589839 CHEMBL1644112				No. 118
C00000894	13Z-Labdene-8alpha,15,16-triol					No. 118
C00031964	(+)-13-epi-2alpha-Hydroxykolavelool					No. 118
C00023460	(-)-2beta-Hydroxykolavelool					No. 118
C00023459	ent-8(17),13E-Labdadien-9alpha,15-diol					No. 118
C00023415	(+)-(9R*,13S*)-Dihydroxy-8(17),14-labdadiene					No. 118
C00023341	[2S-[2alpha,3alpha,4abeta,5beta(S*),8aalpha]]-1,2,3,4,4a,5,8,8a-Octahydro-5-(3-hydroxy-3-methyl-4-pentenyl)-1,1,4a,6-tetramethyl-2,3-naphthalenediol					No. 118
C00022241	2beta,8beta,15-Trihydroxy-ent-labd-13E-one					No. 118
C00022245	ent-13E-Labdene-2alpha,3alpha,8alpha,15-tetrol					No. 118
C00023336	[1S-[1alpha(S*),4abeta,7beta,8aalpha]]-alpha-Ethenyl-1,4,4a,5,6,7,8,8a-octahydro-7-hydroxy-a,2,5,5,8a-pentamethyl-1-naphthalenepropanol					No. 118
C00022406	Abienol	CHEMBL603753				No. 118
C00023334	7,14-Labdadiene-3alpha,13R-diol					No. 118
C00023326	2-Ketoepimanool					No. 118
C00023323	3alpha-Hydroxymanool					No. 118
C00023322	7alpha-Hydroxymanool / (13R)-8(17),14-Labdadiene-7alpha,13-diol	CHEMBL456311 CHEMBL1967786				No. 118
C00023321	Larixol	CHEMBL1370284		5 / 7 / 37		No. 118
C00023320	Torulosal / 13R-Hydroxy-8(17),14-labdadien-19-al					No. 118
C00023306	Manool	CHEMBL561922				No. 118
C00022764	8alpha,15,18-Labdanetriol					No. 118
C00022774	13-Epitorulosol / epi-13-Torulosol	CHEMBL596905 CHEMBL1521278		3 / 15 / 12		No. 118
C00022773	13-Epitorreferol	CHEMBL596905 CHEMBL1521278		3 / 15 / 12		No. 118
C00022772	Torulosol / 8(17),14-Labdadiene-13R,19-diol	CHEMBL596905 CHEMBL1521278		3 / 15 / 12		No. 118
C00022723	Neoabienol / 11E,13E-Labdadien-8alpha-ol		C085761			No. 118
C00022724	(ent)-8-alpha-Hydroxy-13(16),14-labdadien-19-oic acid					No. 118
C00022726	Sclareol	CHEMBL294740 CHEMBL464176 CHEMBL1369540	C070760	14 / 19 / 18		No. 118
C00022729	13-Episclareol / 13-epi-Sclareol	CHEMBL294740 CHEMBL464176 CHEMBL1369540		14 / 19 / 18		No. 118
C00022730	Viteagnusin C / (-)-Viteagnusin C	CHEMBL294740 CHEMBL464176 CHEMBL1369540		14 / 19 / 18		No. 118
C00022731	ent-14-Gnaphalene-8beta,13S-diol					No. 118
C00022732	Viteagnusin D / (+)-Viteagnusin D					No. 118
C00022750	Vitexifolin B / (+)-Vitexifolin B					No. 118
C00022752	Gymnospermin					No. 118
C00022765	Torreferol	CHEMBL596905 CHEMBL1521278		3 / 15 / 12		No. 118
C00022763	ent-8alpha,15-Labdanediol	CHEMBL1172098				No. 118
C00045445	CPP / Copalyl diphosphate		C090962			No. 118
C00022762	7alpha,8-dihydroxy-5beta,8betaH,9betaH,10alpha-Labdan-15-oic acid					No. 256
C00022720	(8alpha,11E,13S)-11,14-Labdadiene-8,13-diol					No. 256
C00022719	(8alpha,11E,13R)-11,14-Labdadiene-8,13-diol					No. 256
C00022718	13(16),14-Gnaphaladien-8alpha-ol					No. 256
C00023210	epi-13-Manool	CHEMBL561922				No. 256
C00023211	Vitexifolin A	CHEMBL561922				No. 256
C00022716	18-Deoxyandalusol					No. 256
C00022715	6-Deoxyandalusol / (ent-8alpha)-13(16),14-Labdadiene-8,18-diol					No. 256
C00022713	Isoabienol					No. 256
C00022712	(8alphaH,9alpha,12E)-12,14-Labdadiene-9,18-diol					No. 256
C00022711	6beta,18-Dihydroxy-12E-abienol					No. 256
C00022519	6beta-Hydroxy-12E-abienol / (6beta,8alpha,12E)-12,14-Labdadiene-6,8-diol					No. 256
C00022473	18-Hydroxyabienol / (ent-8alpha)-12,14-Labdadiene-8,18-diol					No. 256
C00022717	Andalusol	CHEMBL2180484		1 / 0 / 0		No. 256
C00045444	syn-CPP / syn-Copalyl diphosphate					No. 256
C00042658	ent-CPP / ent-Copalyl diphosphate					No. 256
C00040744	Zambesiacolactone A / (+)-Zambesiacolactone A					No. 256
C00040743	Methyl 8beta,17-epoxy-3beta,7beta,15-trihydroxy-12(E)-labden-16-oate / (+)-Methyl 8beta,17-epoxy-3beta,7beta,15-trihydroxy-12(E)-labden-16-oate					No. 256
C00040734	Aulacocarpin B / (+)-Aulacocarpin B	CHEMBL461902				No. 256
C00003449	8alpha-Hydroxy-13Z-labden-15-al					No. 256
C00037007	Wightionolide					No. 256
C00036293	14-Deoxyandrographolide	CHEMBL415768				No. 256
C00033527	Andrographolide	CHEMBL186141 CHEMBL191892 CHEMBL364257 CHEMBL479285 CHEMBL466345 CHEMBL1317036 CHEMBL1317931 CHEMBL1599649 CHEMBL1705045 CHEMBL1951638	C030419	21 / 28 / 58	22 / 5	No. 256
C00022255	cis-Abienol	CHEMBL603753				No. 660
C00022232	13E-Labdene-3beta,8alpha,15-triol					No. 660
C00023362	Labda-7,14-dien-13-ol	CHEMBL500040				No. 660
C00041336	isoandrographolide					No. 660
C00041244	8beta,17-Epoxy-3beta,7beta-Dihydroxy-12(E)-labden-16,15-olide / (+)-8beta,17-Epoxy-3beta,7beta-Dihydroxy-12(E)-labden-16,15-olide					No. 660
C00041241	Zambesiacolactone B / (+)-Zambesiacolactone B					No. 660
C00023363	Jungermanool					No. 660
C00022230	ent-14-Labden-8beta-ol					No. 660
C00022229	(8alpha,13E)-8,15-Dihydroxy-13-labden-19-al					No. 660
C00038326	Aulacocarpin A / (+)-Aulacocarpin A	CHEMBL518660				No. 660
C00038155	12R,13R-Hydroxyandrographolide	CHEMBL518455 CHEMBL467963 CHEMBL467946				No. 660
C00038156	12S-Hydroxyandrographolide / (-)-12S-Hydroxyandrographolide	CHEMBL518455 CHEMBL467963 CHEMBL467946				No. 660
C00038325	12S,13S-Hydroxyandrographolide	CHEMBL518455 CHEMBL467963 CHEMBL467946				No. 660
C00037496	14-Deoxy-17-hydroxyandrographolide / (-)-14-Deoxy-17-hydroxyandrographolide	CHEMBL479489				No. 1300
C00034799	Andropanolide / (-)-Andropanolide	CHEMBL186141 CHEMBL191892 CHEMBL364257 CHEMBL479285 CHEMBL466345 CHEMBL1317036 CHEMBL1317931 CHEMBL1599649 CHEMBL1705045 CHEMBL1951638		21 / 28 / 58		No. 1300
C00036662	ent-2alpha-2,18-Dihydroxy-8(17),13-labdadien-15,16-olide					No. 1300
C00034800	7R-Hydroxy-14-deoxyandrographolide	CHEMBL466745 CHEMBL512623				No. 1300
C00034921	Phlogantholide A					No. 1300
C00041603	Galanolactone	CHEMBL322730	C069419			No. 1300
C00034848	7S-Hydroxy-14-deoxyandrographolide	CHEMBL466745 CHEMBL512623				No. 1300
C00034920	14-Deoxy-11-oxoandrographolide					No. 1300
C00000880	Vulgarol	CHEMBL589839 CHEMBL1644112				No. 4186
C00000899	8alpha-Hydroxy-13E-labden-15-al					No. 4186
C00000876	Leoheteronin D / (+)-Leoheteronin D	CHEMBL589839 CHEMBL1644112				No. 4186

Human Protein / Gene in interactions

34 ChEMBL Protein in interactions

accession	description	class description	KNApSAcK metabolite in interactions	# of diseases (OMIM / KEGG)
P08684	Cytochrome P450 3A4	Cytochrome P450 3A4	C00000894 C00022713 C00022717 C00022718 C00022719 C00023323 C00023362 C00032496 C00033527 C00041336	0 / 1
P02545	Prelamin-A/C	Unclassified protein	C00022717 C00022718 C00022719 C00023362 C00033527 C00041336	11 / 10
Q99700	Ataxin-2	Unclassified protein	C00000894 C00023323 C00023362 C00032496 C00041336	1 / 1
P84022	Mothers against decapentaplegic homolog 3	Unclassified protein	C00000894 C00023323 C00023362 C00032496 C00041336	2 / 0
O00255	Menin	Unclassified protein	C00000894 C00023323 C00023362 C00032496 C00041336	2 / 5
Q03164	Histone-lysine N-methyltransferase 2A	Enzyme	C00000894 C00023323 C00023362 C00032496 C00041336	1 / 2
Q16637	Survival motor neuron protein	Unclassified protein	C00022717 C00022718 C00022719 C00033527	4 / 1
P11712	Cytochrome P450 2C9	Cytochrome P450 2C9	C00000894 C00023323 C00032496	0 / 1
P16473	Thyrotropin receptor	Glycohormone receptor	C00000894 C00023323 C00032496	3 / 2
P00352	Retinal dehydrogenase 1	Enzyme	C00000894 C00023323 C00032496	0 / 0
Q16236	Nuclear factor erythroid 2-related factor 2	Unclassified protein	C00022752 C00023362 C00041336	0 / 0
P10636	Microtubule-associated protein tau	Unclassified protein	C00000894 C00023323 C00032496	4 / 3
P37840	Alpha-synuclein	Unclassified protein	C00000894 C00023323 C00032496	4 / 2
Q9UNA4	DNA polymerase iota	Enzyme	C00000894 C00023323 C00032496	0 / 0
P43220	Glucagon-like peptide 1 receptor	Glucagon-like peptide receptor	C00000894 C00023323 C00032496	0 / 0
P04637	Cellular tumor antigen p53	Transcription Factor	C00022713 C00023362 C00041336	7 / 37
P33261	Cytochrome P450 2C19	Cytochrome P450 2C19	C00000894 C00023323 C00032496	1 / 1
Q13148	TAR DNA-binding protein 43	Unclassified protein	C00000894 C00023323 C00032496	1 / 1
Q9HC16	DNA dC->dU-editing enzyme APOBEC-3G	Enzyme	C00023362 C00041336	0 / 0
P01215	Glycoprotein hormones alpha chain	Unclassified protein	C00023362 C00041336	0 / 3
Q96QE3	ATPase family AAA domain-containing protein 5	Unclassified protein	C00023362 C00041336	0 / 0
Q9H227	Cytosolic beta-glucosidase	Enzyme	C00023362 C00041336	0 / 0
P31749	RAC-alpha serine/threonine-protein kinase	Akt	C00023362 C00041336	4 / 1
P83916	Chromobox protein homolog 1	Unclassified protein	C00023362 C00041336	0 / 0
Q04206	Transcription factor p65	Transcription Factor	C00023362 C00041336	0 / 0
O75496	Geminin	Unclassified protein	C00023362 C00041336	0 / 0
Q13526	Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1	Enzyme	C00023362 C00041336	0 / 0
P04278	Sex hormone-binding globulin	Secreted protein	C00023362 C00041336	0 / 0
O43451	Maltase-glucoamylase, intestinal	Hydrolase	C00023362 C00041336	0 / 0
O75874	Isocitrate dehydrogenase [NADP] cytoplasmic	Enzyme	C00023362 C00041336	1 / 0
Q92830	Histone acetyltransferase KAT2A	Enzyme	C00023362 C00041336	0 / 0
P16050	Arachidonate 15-lipoxygenase	Enzyme	C00022713	0 / 0
P28482	Mitogen-activated protein kinase 1	Erk	C00022713	0 / 0
O94782	Ubiquitin carboxyl-terminal hydrolase 1	Enzyme	C00022713	0 / 0

22 Gene in CTD interactions

gene	gene name	gene description	KNApSAcK metabolite in interactions
581	BAX, BCL2L4	BCL2-associated X protein	C00023362
836	CASP3, CPP32, CPP32B, SCA-1	caspase 3, apoptosis-related cysteine peptidase (EC:3.4.22.56)	C00023362
841	CASP8, ALPS2B, CAP4, Casp-8, FLICE, MACH, MCH5	caspase 8, apoptosis-related cysteine peptidase (EC:3.4.22.61)	C00023362
842	CASP9, APAF-3, APAF3, ICE-LAP6, MCH6, PPP1R56	caspase 9, apoptosis-related cysteine peptidase (EC:3.4.22.62)	C00023362
890	CCNA2, CCN1, CCNA	cyclin A2	C00023362
595	CCND1, BCL1, D11S287E, PRAD1, U21B31	cyclin D1	C00023362
1017	CDK2, p33(CDK2)	cyclin-dependent kinase 2 (EC:2.7.11.22)	C00023362
1019	CDK4, CMM3, PSK-J3	cyclin-dependent kinase 4 (EC:2.7.11.22)	C00023362
1026	CDKN1A, CAP20, CDKN1, CIP1, MDA-6, P21, SDI1, WAF1, p21CIP1	cyclin-dependent kinase inhibitor 1A (p21, Cip1)	C00023362
1544	CYP1A2, CP12, P3-450, P450(PA)	cytochrome P450, family 1, subfamily A, polypeptide 2 (EC:1.14.14.1)	C00023362
1559	CYP2C9, CPC9, CYP2C, CYP2C10, CYPIIC9, P450IIC9	cytochrome P450, family 2, subfamily C, polypeptide 9 (EC:1.14.13.48 1.14.13.49 1.14.13.80)	C00023362
1576	CYP3A4, CP33, CP34, CYP3A, CYP3A3, CYPIIIA3, CYPIIIA4, HLP, NF-25, P450C3, P450PCN1	cytochrome P450, family 3, subfamily A, polypeptide 4 (EC:1.14.13.67 1.14.13.97 1.14.13.32 1.14.13.157)	C00023362
54583	EGLN1, C1orf12, ECYT3, HIF-PH2, HIFPH2, HPH-2, HPH2, PHD2, SM20, ZMYND6	egl-9 family hypoxia-inducible factor 1 (EC:1.14.11.29)	C00023362
2353	FOS, AP-1, C-FOS, p55	FBJ murine osteosarcoma viral oncogene homolog	C00023362
3091	HIF1A, HIF-1A, HIF-1alpha, HIF1, HIF1-ALPHA, MOP1, PASD8, bHLHe78	hypoxia inducible factor 1, alpha subunit (basic helix-loop-helix transcription factor)	C00023362
3725	JUN, AP-1, AP1, c-Jun	jun proto-oncogene	C00023362
4316	MMP7, MMP-7, MPSL1, PUMP-1	matrix metallopeptidase 7 (matrilysin, uterine) (EC:3.4.24.23)	C00023362
5925	RB1, OSRC, RB, p105-Rb, pRb, pp110	retinoblastoma 1	C00023362
259296	TAS2R50, T2R50, T2R51, TAS2R51	taste receptor, type 2, member 50	C00023362
7040	TGFB1, CED, DPD1, LAP, TGFB, TGFbeta	transforming growth factor, beta 1	C00023362
7157	TP53, BCC7, LFS1, P53, TRP53	tumor protein p53	C00023362
7422	VEGFA, MVCD1, VEGF, VPF	vascular endothelial growth factor A	C00023362

Related Diseases

Diseases related to proteins in ChEMBL interactions

Diseases related to CTD interactions