KCF-S cluster No. 105 (46 metabolites)

Corresponding Phytochemical cluster No. 21


Plant Species


Cumulative plant class count

class name count
Magnoliophyta 66

Cumulative family count

class name count
Schisandraceae 58
Magnoliaceae 8

KEGG BRITE br08003 External link 512


Categories (1)

br08003 Category # of metabolite
Lignans 3

metabolites link (4)

br08003 Category KEGG ID KNApSAcK ID
Lignans C10555 C00002596
Lignans C10621 C00002606
Lignans C10893 C00002634
Lignans C10555 C00007216

Metabolite list (46)

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
C00000670 External link 512 (+)-Gomisin A
CHEMBL403578
CHEMBL1159658
CHEMBL1834755
5 / 0 / 0
C00000712 External link 512 (-)-Gomisin J
CHEMBL251864
C082091
C00002596 External link 512 Deoxygomisin A
CHEMBL402435
CHEMBL479488
CHEMBL513752
6 / 6 / 13
C00002606 External link 512 Gomisin L1 methyl ether
CHEMBL402435
CHEMBL479488
CHEMBL513752
C049013
6 / 6 / 13
C00002634 External link 512 Wuweizisu C
/ (-)-Wuweizisu C
CHEMBL437412
C031409
C00007216 External link 512 Gomisin N
CHEMBL402435
CHEMBL479488
CHEMBL513752
6 / 6 / 13
C00029632 External link 512 Acetyl-binankadsurin A
C00029829 External link 512 Binankadsurin A
CHEMBL447240
CHEMBL518555
C00030191 External link 512 Epigomisin O
CHEMBL522973
CHEMBL521975
C00030417 External link 512 Gomisin O
CHEMBL522973
CHEMBL521975
C00030418 External link 512 Gomisin R
CHEMBL465720
CHEMBL1237139
C00030530 External link 512 Isogomisin O
CHEMBL506792
CHEMBL1782124
C00030576 External link 512 Kadsuphilin D
C00030579 External link 512 Kadsuralignan A
C00030688 External link 512 Longipedunin B
C00030770 External link 512 Methylisogomisin O
C00033990 External link 512 Kadsurin
CHEMBL559796
CHEMBL1460441
C075123
4 / 3 / 1
C00034219 External link 512 Schizandrin
/ Schisandrol A
/ Wuweizichun A
/ (+)-Schizandrin
CHEMBL253688
C011105
2 / 0 / 0
C00037700 External link 512 Pyramidatin A
C00037701 External link 512 Pyramidatin B
C00037702 External link 512 Pyramidatin C
C00037703 External link 512 Pyramidatin D
C00037704 External link 512 Pyramidatin E
C00037705 External link 512 Pyramidatin F
C00037706 External link 512 Pyramidatin G
C00037707 External link 512 Pyramidatin H
C00038952 External link 512 Deangeloylschisantherin F
CHEMBL465892
C00039510 External link 512 Kadangustin A
/ Kadsuphilin K
CHEMBL459243
C00039511 External link 512 Kadangustin B
CHEMBL457477
C00039536 External link 512 Kadsulignan L
CHEMBL464848
CHEMBL485477
CHEMBL1310734
7 / 1 / 1
C00039537 External link 512 Kadsulignan N
CHEMBL517461
C00039539 External link 512 Kadsuphilol A
CHEMBL447240
CHEMBL518555
C00040177 External link 512 Rubriflorin B
C00040253 External link 512 Schisantherin P
CHEMBL517654
C00040254 External link 512 Schisantherin Q
CHEMBL517629
C00041224 External link 512 (+)-Gomisin M2
CHEMBL518108
CHEMBL1426408
7 / 4 / 2
C00041495 External link 512 Schisandrin A
/ Deoxyschisandrin
CHEMBL253908
CHEMBL490126
CHEMBL479898
C034734
4 / 1 / 4 2 / 0
C00041561 External link 512 Gomisin A
CHEMBL403578
CHEMBL1159658
CHEMBL1834755
C033585
5 / 0 / 0 2 / 2
C00041563 External link 512 Gomisin K3
/ Schisanhenol
CHEMBL490125
CHEMBL520939
C045309
7 / 10 / 8
C00041802 External link 512 Rubrisandrin A
CHEMBL1080599
CHEMBL1080600
C00041803 External link 512 Rubrisandrin B
C00046205 External link 512 Neokadsuranin
CHEMBL464848
CHEMBL485477
CHEMBL1310734
7 / 1 / 1
C00047597 External link 512 Tiegusanin M
C00047725 External link 512 Arisanschinin F
CHEMBL1080599
CHEMBL1080600
C00047726 External link 512 Arisanschinin G
CHEMBL1080599
CHEMBL1080600
C00048444 External link 512 Kadsuphilol I

Human Protein / Gene in interactions

24 ChEMBL Protein in interactions

accession description class description KNApSAcK metabolite in interactions # of diseases
(OMIM / KEGG)
O75496 Geminin Unclassified protein C00000670 C00033990 C00039536 C00041224 C00041495 C00041561 C00041563 C00046205 0 / 0
P33527 Multidrug resistance-associated protein 1 drugs C00000670 C00002596 C00002606 C00007216 C00034219 C00041495 C00041561 0 / 0
Q13315 Serine-protein kinase ATM Atypical serine/threonine protein kinase PIKK subfamily C00002596 C00002606 C00007216 C00041495 C00041563 1 / 4
P46063 ATP-dependent DNA helicase Q1 Enzyme C00000670 C00039536 C00041561 C00046205 0 / 0
P83916 Chromobox protein homolog 1 Unclassified protein C00000670 C00039536 C00041561 C00046205 0 / 0
P43220 Glucagon-like peptide 1 receptor Glucagon-like peptide receptor C00033990 C00041224 C00041495 C00041563 0 / 0
P09917 Arachidonate 5-lipoxygenase Oxidoreductase C00000670 C00034219 C00041561 0 / 0
Q03164 Histone-lysine N-methyltransferase 2A Enzyme C00002596 C00002606 C00007216 1 / 2
Q13535 Serine/threonine-protein kinase ATR Atypical serine/threonine protein kinase PIKK subfamily C00002596 C00002606 C00007216 2 / 2
P78527 DNA-dependent protein kinase catalytic subunit Atypical serine/threonine protein kinase PIKK subfamily C00002596 C00002606 C00007216 0 / 0
O00255 Menin Unclassified protein C00002596 C00002606 C00007216 2 / 5
P41143 Delta-type opioid receptor Opioid receptor C00039536 C00046205 0 / 0
P84022 Mothers against decapentaplegic homolog 3 Unclassified protein C00033990 C00041224 2 / 0
P42858 Huntingtin Unclassified protein C00039536 C00046205 1 / 1
P35372 Mu-type opioid receptor Opioid receptor C00039536 C00046205 0 / 0
P41145 Kappa-type opioid receptor Opioid receptor C00039536 C00046205 0 / 0
Q9Y253 DNA polymerase eta Enzyme C00033990 C00041224 1 / 1
P63092 Guanine nucleotide-binding protein G(s) subunit alpha isoforms short Other membrane protein C00041563 7 / 3
O75164 Lysine-specific demethylase 4A Enzyme C00041224 0 / 0
Q99700 Ataxin-2 Unclassified protein C00041563 1 / 1
Q9NUW8 Tyrosyl-DNA phosphodiesterase 1 Enzyme C00041563 1 / 1
P06746 DNA polymerase beta Enzyme C00041224 0 / 0
Q92830 Histone acetyltransferase KAT2A Enzyme C00041563 0 / 0
Q13148 TAR DNA-binding protein 43 Unclassified protein C00041224 1 / 1

2 Gene in CTD interactions

gene gene name gene description KNApSAcK metabolite in interactions
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) C00041495 C00041561
8856 NR1I2, BXR, ONR1, PAR, PAR1, PAR2, PARq, PRR, PXR, SAR, SXR nuclear receptor subfamily 1, group I, member 2 C00041495 C00041561

Related Diseases

Diseases related to proteins in ChEMBL interactions

OMIM (20)

OMIM preferred title UniProt
#219080 Acth-independent macronodular adrenal hyperplasia; aimah P63092
#612069 Amyotrophic lateral sclerosis 10, with or without frontotemporal dementia; als10 Q13148
#208900 Ataxia-telangiectasia; at Q13315
#114500 Colorectal cancer; crc P84022
#614564 Cutaneous telangiectasia and cancer syndrome, familial; fctcs Q13535
#605130 Hairy elbows, short stature, facial dysmorphism, and developmental delay Q03164
#143100 Huntington disease; hd P42858
#145000 Hyperparathyroidism 1; hrpt1 O00255
#613795 Loeys-dietz syndrome, type 3; lds3 P84022
#174800 Mccune-albright syndrome; mas P63092
#131100 Multiple endocrine neoplasia, type i; men1 O00255
#166350 Osseous heteroplasia, progressive; poh P63092
#102200 Pituitary adenoma, growth hormone-secreting P63092
#103580 Pseudohypoparathyroidism, type ia; php1a P63092
#603233 Pseudohypoparathyroidism, type ib; php1b P63092
#612462 Pseudohypoparathyroidism, type ic; php1c P63092
#210600 Seckel syndrome 1; sckl1 Q13535
#183090 Spinocerebellar ataxia 2; sca2 Q99700
#607250 Spinocerebellar ataxia, autosomal recessive, with axonal neuropathy; scan1 Q9NUW8
#278750 Xeroderma pigmentosum, variant type; xpv Q9Y253

KEGG DISEASE (20)

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)
H00059 Huntington's disease (HD) P42858 (related)
H00244 Pseudohypoparathyroidism P63092 (related)
H00441 Progressive osseous heteroplasia (POH) P63092 (related)
H00501 Fibrous dysplasia, polyostotic P63092 (related)
H00001 Acute lymphoblastic leukemia (ALL) (precursor B lymphoblastic leukemia) Q03164 (related)
Q03164 (marker)
H00002 Acute lymphoblastic leukemia (ALL) (precursor T lymphoblastic leukemia) Q03164 (related)
H00058 Amyotrophic lateral sclerosis (ALS) Q13148 (related)
H00005 Chronic lymphocytic leukemia (CLL) Q13315 (related)
H00064 Ataxia telangiectasia (AT) Q13315 (related)
H00094 DNA repair defects Q13315 (related)
H00848 Ataxia with ocular apraxia (AOA) Q13315 (related)
H00037 Alveolar rhabdomyosarcoma Q13535 (related)
H00992 Seckel syndrome Q13535 (related)
H00063 Spinocerebellar ataxia (SCA) Q99700 (related)
Q9NUW8 (related)
H00403 Disorders of nucleotide excision repair Q9Y253 (related)

Diseases related to CTD interactions

2 disease in interactions with metabolites

MESH or OMIM name KNApSAcK
metabolite
D000647 Amnesia C00041561
D011230 Precancerous Conditions C00041561