Species

KNApSAcK Entry

Organism name Eupatorium macrocephalum Lee.
Genus Eupatorium
Family Asteraceae
Kingdom Plantae

NCBI taxonomy

Entry

Linked NCBI taxonomy name Eupatorium
Linked NCBI taxonomy ID 13516
Linked level genus

Family

Family in NCBI taxonomy Asteraceae
ID 4210

Kingdom (Superkingdom)

Kingdom (Superkingdom) in NCBI taxonomy Viridiplantae
ID 33090

Plant class

Plant class asterids
ID 71274

Metabolite list (10)

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
phytochemical
cluster
figure
C00003749 External link 512 Lupeol
/ Lupenol
/ (+)-Lupenol
CHEMBL289191
CHEMBL459702
C010480
3 / 0 / 0 2 / 6 No. 23 No. 51
C00003737 External link 512 alpha-Amyrin
/ alpha-Amyrine
/ alpha-Amyrenol
No. 23 No. 51
C00003750 External link 512 Lupeol acetate
CHEMBL453802
CHEMBL1097034
C055329
1 / 0 / 0 No. 23 No. 51
C00003738 External link 512 beta-Amyrin
/ beta-Amirin
/ beta-Amyrine
/ beta-Amyrenol
C036380
0 / 4 No. 23 No. 51
C00023774 External link 512 Fucostanol
/ Stigmasterol
/ Dihydro-beta-sitosterol
/ (24S)24-Ethylcholestain-3beta-ol
CHEMBL66943
CHEMBL186373
CHEMBL400247
CHEMBL1568947
D013265
5 / 0 / 0 1 / 0 No. 53 No. 11
C00023770 External link 512 Sitosterol
/ Stigmasta-5,22-dien-3beta-ol
/ (24R)24-Ethylcholesta-5,22-dien-3beta-ol
CHEMBL221542
CHEMBL1398443
CHEMBL1875388
17 / 19 / 12 No. 53 No. 11
C00003673 External link 512 Spinasterol
/ (-)-Spinasterol
/ alpha-Spinasterin
/ alpha-Spinasterol
CHEMBL487783
C031312
No. 111 No. 11
C00019308 External link 512 Doursterol
/ Daucosterin
/ 3-O-beta-D-Glucopyranosyl sitosterol
/ beta-Sitosterol 3-O-beta-D-glucopyranoside
CHEMBL197711
CHEMBL506678
CHEMBL2304043
C011015
5 / 4 / 2 0 / 3 No. 520
C00029508 External link 512 3-O-beta-D-Glucopyranosyl-spinasterol
/ alpha-Spinasterol 3-O-beta-D-glucopyranoside
/ (-)-alpha-Spinasterol 3-O-beta-D-glucopyranoside
No. 520
C00029509 External link 512 Stigmasterol-3-O-beta-D-glucopyranoside
/ beta-Stigmasteryl 3-O-beta-D-glucopyranoside
CHEMBL447335
C054293
2 / 0 / 0 No. 520

Human Protein / Gene in interactions

24 ChEMBL Protein in interactions

accession description class description KNApSAcK metabolite in interactions # of diseases
(OMIM / KEGG)
P11388 DNA topoisomerase 2-alpha Isomerase C00003749 C00003750 C00023774 0 / 0
P08047 Transcription factor Sp1 Unclassified protein C00003749 C00019308 C00023770 0 / 0
P06746 DNA polymerase beta Enzyme C00019308 C00023770 C00023774 0 / 0
P00734 Prothrombin S1A C00019308 C00023770 4 / 2
P18031 Tyrosine-protein phosphatase non-receptor type 1 Tyr C00019308 C00023770 0 / 0
P49841 Glycogen synthase kinase-3 beta Gsk C00019308 C00023770 0 / 0
P10635 Cytochrome P450 2D6 Cytochrome P450 2D6 C00023770 1 / 0
P51452 Dual specificity protein phosphatase 3 Ser_Thr_Tyr C00029509 0 / 0
P08183 Multidrug resistance protein 1 drug C00023770 1 / 0
P11712 Cytochrome P450 2C9 Cytochrome P450 2C9 C00023770 0 / 1
P11387 DNA topoisomerase 1 Isomerase C00003749 0 / 0
P16473 Thyrotropin receptor Glycohormone receptor C00023770 3 / 2
P34969 5-hydroxytryptamine receptor 7 Serotonin receptor C00023774 0 / 0
P49798 Regulator of G-protein signaling 4 Unclassified protein C00023770 2 / 0
P14679 Tyrosinase Oxidoreductase C00023770 4 / 2
P35236 Tyrosine-protein phosphatase non-receptor type 7 Tyr C00029509 0 / 0
P05177 Cytochrome P450 1A2 Cytochrome P450 1A2 C00023770 0 / 0
P03372 Estrogen receptor NR3A1 C00023770 1 / 1
P09884 DNA polymerase alpha catalytic subunit Transferase C00023774 0 / 0
P33261 Cytochrome P450 2C19 Cytochrome P450 2C19 C00023770 1 / 1
P08684 Cytochrome P450 3A4 Cytochrome P450 3A4 C00023770 0 / 1
P80365 Corticosteroid 11-beta-dehydrogenase isozyme 2 Enzyme C00023770 1 / 1
Q9NUW8 Tyrosyl-DNA phosphodiesterase 1 Enzyme C00023770 1 / 1
Q02880 DNA topoisomerase 2-beta Isomerase C00023774 0 / 0

3 Gene in CTD interactions

gene gene name gene description KNApSAcK metabolite in interactions
1499 CTNNB1, CTNNB, MRD19, armadillo catenin (cadherin-associated protein), beta 1, 88kDa C00003749
5728 PTEN, 10q23del, BZS, CWS1, DEC, GLM2, MHAM, MMAC1, PTEN1, TEP1 phosphatase and tensin homolog (EC:3.1.3.67 3.1.3.16 3.1.3.48) C00003749
10599 SLCO1B1, HBLRR, LST-1, LST1, OATP-C, OATP1B1, OATP2, OATPC, SLC21A6 solute carrier organic anion transporter family, member 1B1 C00023774

Related Diseases

Diseases related to proteins in ChEMBL interactions

OMIM (19)

OMIM preferred title UniProt
#103470 Albinism, ocular, with sensorineural deafness P14679
#203100 Albinism, oculocutaneous, type ia; oca1a P14679
#606952 Albinism, oculocutaneous, type ib; oca1b P14679
#218030 Apparent mineralocorticoid excess; ame P80365
#609535 Drug metabolism, poor, cyp2c19-related P33261
#608902 Drug metabolism, poor, cyp2d6-related P10635
#615363 Estrogen resistance; estrr P03372
#603373 Hyperthyroidism, familial gestational P16473
#609152 Hyperthyroidism, nonautoimmune P16473
#275200 Hypothyroidism, congenital, nongoitrous, 1; chng1 P16473
#612244 Inflammatory bowel disease 13; ibd13 P08183
#614390 Pregnancy loss, recurrent, susceptibility to, 2; rprgl2 P00734
#613679 Prothrombin deficiency, congenital P00734
#604906 Schizophrenia 9; sczd9 P49798
#181500 Schizophrenia; sczd P49798
#601800 Skin/hair/eye pigmentation, variation in, 3; shep3 P14679
#607250 Spinocerebellar ataxia, autosomal recessive, with axonal neuropathy; scan1 Q9NUW8
#601367 Stroke, ischemic P00734
#188050 Thrombophilia due to thrombin defect; thph1 P00734

KEGG DISEASE (12)

KEGG name UniProt
H00223 Inherited thrombophilia P00734 (related)
H01254 Congenital prothrombin deficiency P00734 (related)
H00026 Endometrial Cancer P03372 (marker)
H00036 Osteosarcoma P08684 (marker)
H01205 Coumarin resistance P11712 (related)
H00168 Oculocutaneous albinism (OCA) P14679 (related)
H00038 Malignant melanoma P14679 (marker)
H00250 Congenital nongoitrous hypothyroidism (CHNG) P16473 (related)
H01269 Congenital hyperthyroidism P16473 (related)
H01171 Poor drug metabolism (PM) P33261 (related)
H00259 Apparent mineralocorticoid excess syndrome P80365 (related)
H00063 Spinocerebellar ataxia (SCA) Q9NUW8 (related)

Diseases related to CTD interactions

13 disease in interactions with metabolites

MESH or OMIM name KNApSAcK
metabolite
D006528 Carcinoma, Hepatocellular C00003749
D009202 Cardiomyopathies C00003749
D006937 Hypercholesterolemia C00003749
D009374 Neoplasms, Experimental C00003749
D012878 Skin Neoplasms C00003749
D014947 Wounds and Injuries C00003749
D002493 Central Nervous System Diseases C00019308
D003072 Cognition Disorders C00019308
D013118 Spinal Cord Diseases C00019308
D005157 Facial Pain C00003738
D006930 Hyperalgesia C00003738
D007249 Inflammation C00003738
D010146 Pain C00003738