PCIDB

KCF-S cluster No. 495 (16 metabolites)

Corresponding Phytochemical cluster No. 38

Plant Species

Cumulative plant class count

class name count
asterids 44

Cumulative family count

class name count
Asteraceae 44
Axinellidae 2

Metabolite list (16)

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
C00003210 External link 512 Ambrosin
CHEMBL115843
CHEMBL1730820
C010675
12 / 10 / 7
C00003218 External link 512 Aromaticin
CHEMBL494255
15 / 12 / 11
C00003234 External link 512 Conchosin B
C00003298 External link 512 Helenalin
CHEMBL338474
CHEMBL354946
CHEMBL486996
CHEMBL1728820
CHEMBL1911137
C001329
37 / 36 / 29 18 / 3
C00003325 External link 512 Mexicanin E
CHEMBL2000938
C00003326 External link 512 Mexicanin I
CHEMBL338474
CHEMBL354946
CHEMBL486996
CHEMBL1728820
CHEMBL1911137
37 / 36 / 29
C00003344 External link 512 Parthenin
CHEMBL312004
CHEMBL401149
CHEMBL1869439
C022097
10 / 5 / 4
C00012935 External link 512 Subcordatolide B
/ [3aR-(3aalpha,4aalpha,5alpha,8abeta,9abeta)]-3a,4a,5,8a,9,9a-Hexahydro-5-hydroxy-5,8a-dimethyl-3-methylenenaphtho[2,3-b]furan-2,8(3H,4H)-dione
C00012943 External link 512 [3aR-(3aalpha,4aalpha,5beta,8abeta,9aalpha)]-3a,4a,5,8a,9,9a-Hexahydro-5,8a-dimethyl-3-methylenenaphtho[2,3-b]furan-2,6(3H,4H)-dione
C00013063 External link 512 Arglanin
/ 11,13-Didehydrovulgarin
/ [3aS-(3aalpha,5abeta,9alpha,9aalpha,9bbeta)]-3a,5,5a,9,9a,9b-Hexahydro-9-hydroxy-5a,9-dimethyl-3-methylenenaphtho[1,2-b]furan-2,6(3H,4H)-dione
C00020949 External link 512 Thieleanine
CHEMBL362895
CHEMBL360387
3 / 0 / 0
C00021048 External link 512 Microhelenin E
C00021049 External link 512 Microhelenin F
CHEMBL1541324
17 / 10 / 5
C00021117 External link 512 8-epi-Helenalin
CHEMBL338474
CHEMBL354946
CHEMBL486996
CHEMBL1728820
CHEMBL1911137
37 / 36 / 29
C00021143 External link 512 Aromatin
CHEMBL494255
15 / 12 / 11
C00021689 External link 512 Hymenin
/ Epiparthenin
CHEMBL312004
CHEMBL401149
CHEMBL1869439
10 / 5 / 4

Human Protein / Gene in interactions

42 ChEMBL Protein in interactions

accession description class description KNApSAcK metabolite in interactions # of diseases
(OMIM / KEGG)
Q9HC16 DNA dC->dU-editing enzyme APOBEC-3G Enzyme C00003210 C00003218 C00003298 C00003326 C00003344 C00021049 C00021117 C00021143 C00021689 0 / 0
P84022 Mothers against decapentaplegic homolog 3 Unclassified protein C00003210 C00003218 C00003298 C00003326 C00003344 C00021049 C00021117 C00021143 C00021689 2 / 0
Q99700 Ataxin-2 Unclassified protein C00003210 C00003218 C00003298 C00003326 C00003344 C00021049 C00021117 C00021143 C00021689 1 / 1
O75496 Geminin Unclassified protein C00003210 C00003218 C00003298 C00003326 C00003344 C00021049 C00021117 C00021143 C00021689 0 / 0
O75874 Isocitrate dehydrogenase [NADP] cytoplasmic Enzyme C00003210 C00003218 C00003298 C00003326 C00003344 C00021117 C00021143 C00021689 1 / 0
Q9UNA4 DNA polymerase iota Enzyme C00003210 C00003218 C00003298 C00003326 C00021049 C00021117 C00021143 0 / 0
P43220 Glucagon-like peptide 1 receptor Glucagon-like peptide receptor C00003218 C00003298 C00003326 C00003344 C00021117 C00021143 C00021689 0 / 0
Q16236 Nuclear factor erythroid 2-related factor 2 Unclassified protein C00003210 C00003218 C00003298 C00003326 C00021049 C00021117 C00021143 0 / 0
P83916 Chromobox protein homolog 1 Unclassified protein C00003210 C00003298 C00003326 C00003344 C00021049 C00021117 C00021689 0 / 0
Q8IUX4 DNA dC->dU-editing enzyme APOBEC-3F Enzyme C00003298 C00003326 C00003344 C00021049 C00021117 C00021689 0 / 0
P10636 Microtubule-associated protein tau Unclassified protein C00003218 C00003298 C00003326 C00021049 C00021117 C00021143 4 / 3
P51151 Ras-related protein Rab-9A Unclassified protein C00003218 C00003298 C00003326 C00021049 C00021117 C00021143 0 / 0
P01215 Glycoprotein hormones alpha chain Unclassified protein C00003210 C00003298 C00003326 C00003344 C00021117 C00021689 0 / 3
Q96QE3 ATPase family AAA domain-containing protein 5 Unclassified protein C00003218 C00003298 C00003326 C00021049 C00021117 C00021143 0 / 0
P42858 Huntingtin Unclassified protein C00003218 C00003298 C00003326 C00021117 C00021143 1 / 1
P17861 X-box-binding protein 1 Unclassified protein C00003218 C00003298 C00003326 C00021117 C00021143 1 / 0
Q00987 E3 ubiquitin-protein ligase Mdm2 Other nuclear protein C00003218 C00003298 C00003326 C00021117 C00021143 1 / 5
O15118 Niemann-Pick C1 protein Unclassified protein C00003218 C00003298 C00003326 C00021117 C00021143 1 / 1
Q9Y253 DNA polymerase eta Enzyme C00003210 C00003298 C00003326 C00021049 C00021117 1 / 1
P38398 Breast cancer type 1 susceptibility protein Enzyme C00003210 C00003298 C00003326 C00021117 4 / 2
Q04206 Transcription factor p65 Transcription Factor C00003298 C00003326 C00020949 C00021117 0 / 0
P19838 Nuclear factor NF-kappa-B p105 subunit Transcription Factor C00003298 C00003326 C00020949 C00021117 0 / 0
Q00653 Nuclear factor NF-kappa-B p100 subunit Transcription Factor C00003298 C00003326 C00020949 C00021117 0 / 0
P49798 Regulator of G-protein signaling 4 Unclassified protein C00003298 C00003326 C00021049 C00021117 2 / 0
Q16637 Survival motor neuron protein Unclassified protein C00003298 C00003326 C00021117 4 / 1
P28482 Mitogen-activated protein kinase 1 Erk C00003298 C00003326 C00021117 0 / 0
P06280 Alpha-galactosidase A Enzyme C00003298 C00003326 C00021117 1 / 1
Q9Y2T6 G-protein coupled receptor 55 Lysophosphatidylinositol receptor C00003298 C00003326 C00021117 0 / 0
Q92830 Histone acetyltransferase KAT2A Enzyme C00003298 C00003326 C00021117 0 / 0
P00352 Retinal dehydrogenase 1 Enzyme C00003298 C00003326 C00021117 0 / 0
P06746 DNA polymerase beta Enzyme C00003298 C00003326 C00021117 0 / 0
P11473 Vitamin D3 receptor NR1I1 C00003298 C00003326 C00021117 2 / 3
P30556 Type-1 angiotensin II receptor Angiotensin receptor C00003298 C00003326 C00021117 1 / 1
P04062 Glucosylceramidase Enzyme C00003298 C00003326 C00021117 6 / 4
Q96KQ7 Histone-lysine N-methyltransferase EHMT2 Enzyme C00003298 C00003326 C00021117 0 / 0
Q9NUW8 Tyrosyl-DNA phosphodiesterase 1 Enzyme C00003298 C00003326 C00021117 1 / 1
Q9Y5X4 Photoreceptor-specific nuclear receptor NR2E3 C00003298 C00003326 C00021117 2 / 2
P51531 Probable global transcription activator SNF2L2 Unclassified protein C00003210 C00003344 C00021689 1 / 0
Q13526 Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1 Enzyme C00021049 0 / 0
P27695 DNA-(apurinic or apyrimidinic site) lyase Enzyme C00021049 0 / 0
P14618 Pyruvate kinase PKM Enzyme C00021049 0 / 0
P46063 ATP-dependent DNA helicase Q1 Enzyme C00021049 0 / 0

18 Gene in CTD interactions

gene gene name gene description KNApSAcK metabolite in interactions
468 ATF4, CREB-2, CREB2, TAXREB67, TXREB activating transcription factor 4 C00003298
836 CASP3, CPP32, CPP32B, SCA-1 caspase 3, apoptosis-related cysteine peptidase (EC:3.4.22.56) C00003298
841 CASP8, ALPS2B, CAP4, Casp-8, FLICE, MACH, MCH5 caspase 8, apoptosis-related cysteine peptidase (EC:3.4.22.61) C00003298
958 CD40, Bp50, CDW40, TNFRSF5, p50 CD40 molecule, TNF receptor superfamily member 5 C00003298
941 CD80, B7, B7-1, B7.1, BB1, CD28LG, CD28LG1, LAB7 CD80 molecule C00003298
9308 CD83, BL11, HB15 CD83 molecule C00003298
942 CD86, B7-2, B7.2, B70, CD28LG2, LAB72 CD86 molecule C00003298
1649 DDIT3, CEBPZ, CHOP, CHOP-10, CHOP10, GADD153 DNA-damage-inducible transcript 3 C00003298
54541 DDIT4, Dig2, REDD-1, REDD1 DNA-damage-inducible transcript 4 C00003298
3383 ICAM1, BB2, CD54, P3.58 intercellular adhesion molecule 1 C00003298
3586 IL10, CSIF, GVHDS, IL-10, IL10A, TGIF interleukin 10 C00003298
3592 IL12A, CLMF, IL-12A, NFSK, NKSF1, P35 interleukin 12A (natural killer cell stimulatory factor 1, cytotoxic lymphocyte maturation factor 1, p35) C00003298
3593 IL12B, CLMF, CLMF2, IL-12B, NKSF, NKSF2 interleukin 12B (natural killer cell stimulatory factor 2, cytotoxic lymphocyte maturation factor 2, p40) C00003298
3569 IL6, BSF2, HGF, HSF, IFNB2, IL-6 interleukin 6 (interferon, beta 2) C00003298
4792 NFKBIA, IKBA, MAD-3, NFKBI nuclear factor of kappa light polypeptide gene enhancer in B-cells inhibitor, alpha C00003298
5970 RELA, NFKB3, p65 v-rel avian reticuloendotheliosis viral oncogene homolog A C00003298
6648 SOD2, IPOB, MNSOD, MVCD6 superoxide dismutase 2, mitochondrial (EC:1.15.1.1) C00003298
8797 TNFRSF10A, APO2, CD261, DR4, TRAILR-1, TRAILR1 tumor necrosis factor receptor superfamily, member 10a C00003298

Related Diseases

Diseases related to proteins in ChEMBL interactions

OMIM (37)

OMIM preferred title UniProt
#614401 Accelerated tumor formation, susceptibility to; actfs Q00987
#114480 Breast cancer P38398
#604370 Breast-ovarian cancer, familial, susceptibility to, 1; brovca1 P38398
#114500 Colorectal cancer; crc P84022
#268100 Enhanced s-cone syndrome; escs Q9Y5X4
#301500 Fabry disease P06280
#600274 Frontotemporal dementia; ftd P10636
#608013 Gaucher disease, perinatal lethal P04062
#230800 Gaucher disease, type i P04062
#230900 Gaucher disease, type ii P04062
#231000 Gaucher disease, type iii P04062
#231005 Gaucher disease, type iiic P04062
#137800 Glioma susceptibility 1; glm1 O75874
#143100 Huntington disease; hd P42858
#613795 Loeys-dietz syndrome, type 3; lds3 P84022
#612371 Major affective disorder 7; mafd7 P17861
#607948 Mycobacterium tuberculosis, susceptibility to P11473
#601358 Nicolaides-baraitser syndrome; ncbrs P51531
#257220 Niemann-pick disease, type c1; npc1 O15118
#167000 Ovarian cancer P38398
#614320 Pancreatic cancer, susceptibility to, 4; pnca4 P38398
#168600 Parkinson disease, late-onset; pd P04062
#260540 Parkinson-dementia syndrome P10636
#172700 Pick disease of brain P10636
#267430 Renal tubular dysgenesis; rtd P30556
#611131 Retinitis pigmentosa 37; rp37 Q9Y5X4
#604906 Schizophrenia 9; sczd9 P49798
#181500 Schizophrenia; sczd P49798
#253300 Spinal muscular atrophy, type i; sma1 Q16637
#253550 Spinal muscular atrophy, type ii; sma2 Q16637
#253400 Spinal muscular atrophy, type iii; sma3 Q16637
#271150 Spinal muscular atrophy, type iv; sma4 Q16637
#183090 Spinocerebellar ataxia 2; sca2 Q99700
#607250 Spinocerebellar ataxia, autosomal recessive, with axonal neuropathy; scan1 Q9NUW8
#601104 Supranuclear palsy, progressive, 1; psnp1 P10636
#277440 Vitamin d-dependent rickets, type 2a; vddr2a P11473
#278750 Xeroderma pigmentosum, variant type; xpv Q9Y253

KEGG DISEASE (29)

KEGG name UniProt
H00136 Niemann-Pick disease type C (NPC) O15118 (related)
H00081 Hashimoto's thyroiditis P01215 (marker)
H00082 Graves' disease P01215 (marker)
H00250 Congenital nongoitrous hypothyroidism (CHNG) P01215 (marker)
H00066 Lewy body dementia (LBD) P04062 (related)
H00126 Gaucher disease P04062 (related)
H00426 Defects in the degradation of ganglioside P04062 (related)
H00810 Progressive myoclonic epilepsy (PME) P04062 (related)
H00125 Fabry disease P06280 (related)
H00058 Amyotrophic lateral sclerosis (ALS) P10636 (related)
H00077 Progressive supranuclear palsy (PSP) P10636 (related)
H00078 Frontotemporal lobar degeneration (FTLD) P10636 (related)
H00342 Tuberculosis P11473 (related)
H00784 Localized autosomal recessive hypotrichosis P11473 (related)
H01143 Vitamin D-dependent rickets P11473 (related)
H00575 Renal tubular dysgenesis P30556 (related)
H00027 Ovarian cancer P38398 (related)
H00031 Breast cancer P38398 (related)
H00059 Huntington's disease (HD) P42858 (related)
H00025 Penile cancer Q00987 (related)
H00028 Choriocarcinoma Q00987 (related)
H00036 Osteosarcoma Q00987 (related)
H00037 Alveolar rhabdomyosarcoma Q00987 (related)
H00042 Glioma Q00987 (related)
H00455 Spinal muscular atrophy (SMA) Q16637 (related)
H00063 Spinocerebellar ataxia (SCA) Q99700 (related)
Q9NUW8 (related)
H00403 Disorders of nucleotide excision repair Q9Y253 (related)
H00527 Retinitis pigmentosa (RP) Q9Y5X4 (related)
H00805 Vitreoretinal degeneration Q9Y5X4 (related)

Diseases related to CTD interactions

3 disease in interactions with metabolites

MESH or OMIM name KNApSAcK
metabolite
D002292 Carcinoma, Renal Cell C00003298
D003110 Colonic Neoplasms C00003298
D007249 Inflammation C00003298