PCIDB

KCF-S cluster No. 246 (27 metabolites)

Corresponding Phytochemical cluster No. 4

Plant Species

Cumulative plant class count

class name count
asterids 66
eudicotyledons 1

Cumulative family count

class name count
Apocynaceae 35
Rubiaceae 31
Menispermaceae 1

Metabolite list (27)

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
C00001678 External link 512 Ajmalicine
CHEMBL122404
CHEMBL123325
CHEMBL498734
CHEMBL486933
CHEMBL1604074
CHEMBL2079609
C005709
32 / 28 / 31 1 / 4
C00001690 External link 512 Aricine
CHEMBL525626
C017997
C00001696 External link 512 Cabucine
CHEMBL525626
C00001751 External link 512 Mitragynine
CHEMBL58496
CHEMBL299031
CHEMBL107364
C001801
1 / 0 / 0 3 / 0
C00025133 External link 512 14alpha-Hydroxy-3-isorauniticine
C00025134 External link 512 14beta-Hydroxy-3-isorauniticine
C00025137 External link 512 19-Epi-3-isoajmalicine
/ 3-Iso-19-epiajmalicine
CHEMBL122404
CHEMBL123325
CHEMBL498734
CHEMBL486933
CHEMBL1604074
CHEMBL2079609
32 / 28 / 31
C00025138 External link 512 19-Epiajmalicine
/ 19-epi-Ajmalicine
/ (+)-19-epi-Ajmalicine
CHEMBL122404
CHEMBL123325
CHEMBL498734
CHEMBL486933
CHEMBL1604074
CHEMBL2079609
32 / 28 / 31
C00025145 External link 512 3-Isoajmalicine
CHEMBL122404
CHEMBL123325
CHEMBL498734
CHEMBL486933
CHEMBL1604074
CHEMBL2079609
32 / 28 / 31
C00025146 External link 512 3-Isorauniticine
CHEMBL122404
CHEMBL123325
CHEMBL498734
CHEMBL486933
CHEMBL1604074
CHEMBL2079609
32 / 28 / 31
C00025161 External link 512 Corynantheidine
CHEMBL60533
CHEMBL327134
CHEMBL1668781
CHEMBL1668783
2 / 0 / 0
C00025166 External link 512 Dihydrocorynantheine
/ 18,19-Dihydrocorynantheine
CHEMBL60533
CHEMBL327134
CHEMBL1668781
CHEMBL1668783
2 / 0 / 0
C00025174 External link 512 Hirsuteine
/ 3-Epicorynantheine
CHEMBL326900
C00025175 External link 512 Hirsutine
/ Hirsutine(Mitragyna)
CHEMBL60533
CHEMBL327134
CHEMBL1668781
CHEMBL1668783
C038369
2 / 0 / 0
C00025179 External link 512 Isocorynantheidine
CHEMBL60533
CHEMBL327134
CHEMBL1668781
CHEMBL1668783
2 / 0 / 0
C00025182 External link 512 Isopaynantheine
/ 3-Isopaynantheine
C00025183 External link 512 Isoreserpiline
/ Neoreserpiline
CHEMBL1622689
C00025191 External link 512 Mitrajavine
C00025194 External link 512 Paynantheine
/ Indolo[2,3-a]quinolizine
C00025202 External link 512 Ervine
/ Rauniticine
CHEMBL122404
CHEMBL123325
CHEMBL498734
CHEMBL486933
CHEMBL1604074
CHEMBL2079609
32 / 28 / 31
C00025207 External link 512 Reserpilin
/ Elliptamine
/ Reserpiline
/ (-)-Reserpiline
CHEMBL1622689
C00025209 External link 512 Speciociliatin
/ Speciociliatine
CHEMBL58496
CHEMBL299031
CHEMBL107364
1 / 0 / 0
C00025211 External link 512 Speciogynin
/ Speciogynine
CHEMBL58496
CHEMBL299031
CHEMBL107364
1 / 0 / 0
C00025214 External link 512 Tetrahydroalstonine
CHEMBL122404
CHEMBL123325
CHEMBL498734
CHEMBL486933
CHEMBL1604074
CHEMBL2079609
32 / 28 / 31
C00025215 External link 512 Tetrahydroalstonine N-oxide
/ (4R)-Tetrahydroalstonine N-oxide
C00026851 External link 512 Darcyribeirine
C00049103 External link 512 Akuammigine
CHEMBL122404
CHEMBL123325
CHEMBL498734
CHEMBL486933
CHEMBL1604074
CHEMBL2079609
32 / 28 / 31

Human Protein / Gene in interactions

34 ChEMBL Protein in interactions

accession description class description KNApSAcK metabolite in interactions # of diseases
(OMIM / KEGG)
P10635 Cytochrome P450 2D6 Cytochrome P450 2D6 C00001678 C00025137 C00025138 C00025145 C00025146 C00025202 C00025214 C00049103 1 / 0
Q9UIF8 Bromodomain adjacent to zinc finger domain protein 2B Unclassified protein C00001678 C00025137 C00025138 C00025145 C00025146 C00025202 C00025214 C00049103 0 / 0
P29466 Caspase-1 C14 C00001678 C00025137 C00025138 C00025145 C00025146 C00025202 C00025214 C00049103 0 / 0
Q13526 Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1 Enzyme C00001678 C00025137 C00025138 C00025145 C00025146 C00025202 C00025214 C00049103 0 / 0
P02545 Prelamin-A/C Unclassified protein C00001678 C00025137 C00025138 C00025145 C00025146 C00025202 C00025214 C00049103 11 / 10
P18825 Alpha-2C adrenergic receptor Adrenergic receptor C00001678 C00025137 C00025138 C00025145 C00025146 C00025202 C00025214 C00049103 0 / 0
P11712 Cytochrome P450 2C9 Cytochrome P450 2C9 C00001678 C00025137 C00025138 C00025145 C00025146 C00025202 C00025214 C00049103 0 / 1
Q9NR56 Muscleblind-like protein 1 Unclassified protein C00001678 C00025137 C00025138 C00025145 C00025146 C00025202 C00025214 C00049103 1 / 0
P68871 Hemoglobin subunit beta Secreted protein C00001678 C00025137 C00025138 C00025145 C00025146 C00025202 C00025214 C00049103 4 / 4
P17405 Sphingomyelin phosphodiesterase Enzyme C00001678 C00025137 C00025138 C00025145 C00025146 C00025202 C00025214 C00049103 2 / 2
Q16665 Hypoxia-inducible factor 1-alpha Transcription Factor C00001678 C00025137 C00025138 C00025145 C00025146 C00025202 C00025214 C00049103 0 / 0
Q92830 Histone acetyltransferase KAT2A Enzyme C00001678 C00025137 C00025138 C00025145 C00025146 C00025202 C00025214 C00049103 0 / 0
P42858 Huntingtin Unclassified protein C00001678 C00025137 C00025138 C00025145 C00025146 C00025202 C00025214 C00049103 1 / 1
P08913 Alpha-2A adrenergic receptor Adrenergic receptor C00001678 C00025137 C00025138 C00025145 C00025146 C00025202 C00025214 C00049103 0 / 0
O00255 Menin Unclassified protein C00001678 C00025137 C00025138 C00025145 C00025146 C00025202 C00025214 C00049103 2 / 5
O94782 Ubiquitin carboxyl-terminal hydrolase 1 Enzyme C00001678 C00025137 C00025138 C00025145 C00025146 C00025202 C00025214 C00049103 0 / 0
Q99816 Tumor susceptibility gene 101 protein Unclassified protein C00001678 C00025137 C00025138 C00025145 C00025146 C00025202 C00025214 C00049103 0 / 0
Q8IUX4 DNA dC->dU-editing enzyme APOBEC-3F Enzyme C00001678 C00025137 C00025138 C00025145 C00025146 C00025202 C00025214 C00049103 0 / 0
P05177 Cytochrome P450 1A2 Cytochrome P450 1A2 C00001678 C00025137 C00025138 C00025145 C00025146 C00025202 C00025214 C00049103 0 / 0
Q99714 3-hydroxyacyl-CoA dehydrogenase type-2 Enzyme C00001678 C00025137 C00025138 C00025145 C00025146 C00025202 C00025214 C00049103 3 / 3
P55210 Caspase-7 C14 C00001678 C00025137 C00025138 C00025145 C00025146 C00025202 C00025214 C00049103 0 / 0
P33261 Cytochrome P450 2C19 Cytochrome P450 2C19 C00001678 C00025137 C00025138 C00025145 C00025146 C00025202 C00025214 C00049103 1 / 1
P08684 Cytochrome P450 3A4 Cytochrome P450 3A4 C00001678 C00025137 C00025138 C00025145 C00025146 C00025202 C00025214 C00049103 0 / 1
Q9UNA4 DNA polymerase iota Enzyme C00001678 C00025137 C00025138 C00025145 C00025146 C00025202 C00025214 C00049103 0 / 0
O75164 Lysine-specific demethylase 4A Enzyme C00001678 C00025137 C00025138 C00025145 C00025146 C00025202 C00025214 C00049103 0 / 0
P18089 Alpha-2B adrenergic receptor Adrenergic receptor C00001678 C00025137 C00025138 C00025145 C00025146 C00025202 C00025214 C00049103 0 / 0
Q9UBT6 DNA polymerase kappa Enzyme C00001678 C00025137 C00025138 C00025145 C00025146 C00025202 C00025214 C00049103 0 / 0
Q14145 Kelch-like ECH-associated protein 1 Unclassified protein C00001678 C00025137 C00025138 C00025145 C00025146 C00025202 C00025214 C00049103 0 / 0
B2RXH2 Lysine-specific demethylase 4E Enzyme C00001678 C00025137 C00025138 C00025145 C00025146 C00025202 C00025214 C00049103 0 / 0
Q96KQ7 Histone-lysine N-methyltransferase EHMT2 Enzyme C00001678 C00025137 C00025138 C00025145 C00025146 C00025202 C00025214 C00049103 0 / 0
Q9NUW8 Tyrosyl-DNA phosphodiesterase 1 Enzyme C00001678 C00025137 C00025138 C00025145 C00025146 C00025202 C00025214 C00049103 1 / 1
Q03164 Histone-lysine N-methyltransferase 2A Enzyme C00001678 C00025137 C00025138 C00025145 C00025146 C00025202 C00025214 C00049103 1 / 2
P41143 Delta-type opioid receptor Opioid receptor C00001751 C00025161 C00025166 C00025175 C00025179 C00025209 C00025211 0 / 0
P06276 Cholinesterase Hydrolase C00025161 C00025166 C00025175 C00025179 0 / 0

3 Gene in CTD interactions

gene gene name gene description KNApSAcK metabolite in interactions
1565 CYP2D6, CPD6, CYP2D, CYP2D7AP, CYP2D7BP, CYP2D7P2, CYP2D8P2, CYP2DL1, CYPIID6, P450-DB1, P450C2D, P450DB1 cytochrome P450, family 2, subfamily D, polypeptide 6 (EC:1.14.14.1) C00001678 C00001751
1544 CYP1A2, CP12, P3-450, P450(PA) cytochrome P450, family 1, subfamily A, polypeptide 2 (EC:1.14.14.1) C00001751
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) C00001751

Related Diseases

Diseases related to proteins in ChEMBL interactions

OMIM (28)

OMIM preferred title UniProt
#300438 17-beta-hydroxysteroid dehydrogenase x deficiency Q99714
#613985 Beta-thalassemia P68871
#603902 Beta-thalassemia, dominant inclusion body type P68871
#115200 Cardiomyopathy, dilated, 1a; cmd1a P02545
#212112 Cardiomyopathy, dilated, with hypergonadotropic hypogonadism P02545
#605588 Charcot-marie-tooth disease, axonal, type 2b1; cmt2b1 P02545
#609535 Drug metabolism, poor, cyp2c19-related P33261
#608902 Drug metabolism, poor, cyp2d6-related P10635
#181350 Emery-dreifuss muscular dystrophy 2, autosomal dominant; edmd2 P02545
#605130 Hairy elbows, short stature, facial dysmorphism, and developmental delay Q03164
#610140 Heart-hand syndrome, slovenian type P02545
#140700 Heinz body anemias P68871
#143100 Huntington disease; hd P42858
#176670 Hutchinson-gilford progeria syndrome; hgps P02545
#145000 Hyperparathyroidism 1; hrpt1 O00255
#151660 Lipodystrophy, familial partial, type 2; fpld2 P02545
#248370 Mandibuloacral dysplasia with type a lipodystrophy; mada P02545
#300705 Mental retardation, x-linked 17; mrx17 Q99714
#300220 Mental retardation, x-linked, syndromic 10; mrxs10 Q99714
#131100 Multiple endocrine neoplasia, type i; men1 O00255
#613205 Muscular dystrophy, congenital, lmna-related P02545
#159001 Muscular dystrophy, limb-girdle, type 1b; lgmd1b P02545
#160900 Myotonic dystrophy 1; dm1 Q9NR56
#257200 Niemann-pick disease, type a P17405
#607616 Niemann-pick disease, type b P17405
#275210 Restrictive dermopathy, lethal P02545
#603903 Sickle cell anemia P68871
#607250 Spinocerebellar ataxia, autosomal recessive, with axonal neuropathy; scan1 Q9NUW8

KEGG DISEASE (31)

KEGG name UniProt
H00033 Adrenal carcinoma O00255 (related)
H00034 Carcinoid O00255 (related)
H00045 Malignant islet cell carcinoma O00255 (related)
H00246 Primary hyperparathyroidism O00255 (related)
H01102 Pituitary adenomas O00255 (related)
H00264 Charcot-Marie-Tooth disease (CMT) P02545 (related)
H00294 Dilated cardiomyopathy (DCM) P02545 (related)
H00420 Familial partial lipodystrophy (FPL) P02545 (related)
H00563 Emery-Dreifuss muscular dystrophy P02545 (related)
H00590 Congenital muscular dystrophies (CMD/MDC) P02545 (related)
H00593 Limb-girdle muscular dystrophy (LGMD) P02545 (related)
H00601 Hutchinson-Gilford progeria syndrome P02545 (related)
H00663 Restrictive dermopathy P02545 (related)
H00665 Mandibuloacral dysplasia P02545 (related)
H01216 Left ventricular noncompaction (LVNC) P02545 (related)
H00036 Osteosarcoma P08684 (marker)
H01205 Coumarin resistance P11712 (related)
H00137 Niemann-Pick disease (NPD) typeA and B P17405 (related)
H00424 Defects in the degradation of sphingomyelin P17405 (related)
H01171 Poor drug metabolism (PM) P33261 (related)
H00059 Huntington's disease (HD) P42858 (related)
H00228 Thalassemia P68871 (related)
H00229 Sickle cell anemia (SCA) P68871 (related)
H00020 Colorectal cancer P68871 (marker)
H00022 Bladder cancer P68871 (marker)
H00001 Acute lymphoblastic leukemia (ALL) (precursor B lymphoblastic leukemia) Q03164 (related)
Q03164 (marker)
H00002 Acute lymphoblastic leukemia (ALL) (precursor T lymphoblastic leukemia) Q03164 (related)
H00480 Non-syndromic X-linked mental retardation Q99714 (related)
H00658 Syndromic X-linked mental retardation Q99714 (related)
H00925 2-Methyl-3-hydroxybutyryl-CoA dehydrogenase (MHBD) deficiency Q99714 (related)
H00063 Spinocerebellar ataxia (SCA) Q9NUW8 (related)

Diseases related to CTD interactions

4 disease in interactions with metabolites

MESH or OMIM name KNApSAcK
metabolite
D000647 Amnesia C00001678
D002779 Cholestasis C00001678
D042882 Gallstones C00001678
D007964 Leukocytosis C00001678