PCIDB

KNApSAcK Metabolite C00002852

Metabolite

KNApSAcK Entry

id C00002852
Name Plumbagin / Plumbagine
CAS RN 481-42-5
Standard InChI InChI=1S/C11H8O3/c1-6-5-9(13)10-7(11(6)14)3-2-4-8(10)12/h2-5,12H,1H3
Standard InChI (Main Layer) InChI=1S/C11H8O3/c1-6-5-9(13)10-7(11(6)14)3-2-4-8(10)12/h2-5,12H,1H3

Cluster

Phytochemical cluster No. 80
KCF-S cluster No. 1047

Link

ChEMBL

By standard InChI CHEMBL295316
By standard InChI Main Layer CHEMBL295316

KEGG

By LinkDB C10387

CTD

By CAS RN C014758

Species

Summary

Plant class

class name count
asterids 13
eudicotyledons 7
Liliopsida 3
rosids 1

Family

family name count
Ebenaceae 13
Plumbaginaceae 3
Iridaceae 3
Droseraceae 2
Nepenthaceae 1
Ancistrocladaceae 1
Peraceae 1

List (25)

* NCBI
KNApSAcK organism *ID *family *plant class *kingdom
Ancistrocladus abbreviatus 122295 Ancistrocladaceae eudicotyledons Viridiplantae
Aristea spp. 58982 Iridaceae Liliopsida Viridiplantae
Ceratostigma willmottianum 63087 Plumbaginaceae eudicotyledons Viridiplantae
Dionaea muscipula 4362 Droseraceae eudicotyledons Viridiplantae
Diospyros canaliculata 13492 Ebenaceae asterids Viridiplantae
Diospyros ebenum 570484 Ebenaceae asterids Viridiplantae
Diospyros elliptifolia 13492 Ebenaceae asterids Viridiplantae
Diospyros gracilipes 413748 Ebenaceae asterids Viridiplantae
Diospyros hebecarpa 1085411 Ebenaceae asterids Viridiplantae
Diospyros kaki 35925 Ebenaceae asterids Viridiplantae
Diospyros maritima BLUME 413758 Ebenaceae asterids Viridiplantae
Diospyros siamang 13492 Ebenaceae asterids Viridiplantae
Diospyros siderophylla 13492 Ebenaceae asterids Viridiplantae
Diospyros spp. 13492 Ebenaceae asterids Viridiplantae
Diospyros sylvatica 13492 Ebenaceae asterids Viridiplantae
Diospyros walkeri 13492 Ebenaceae asterids Viridiplantae
Diospyros wallichii 589132 Ebenaceae asterids Viridiplantae
Dioxspyros assimilis
Drosera rotundifolia 173423 Droseraceae eudicotyledons Viridiplantae
Nepenthes insignis 150971 Nepenthaceae eudicotyledons Viridiplantae
Pera ferruginea 256812 Peraceae rosids Viridiplantae
Plumbago europaea 114226 Plumbaginaceae eudicotyledons Viridiplantae
Plumbago zeylanica 76149 Plumbaginaceae eudicotyledons Viridiplantae
Sisyrinchium spp. 58706 Iridaceae Liliopsida Viridiplantae
Sparaxis spp. 58974 Iridaceae Liliopsida Viridiplantae

Human Protein / Gene in interaction

28 ChEMBL Protein in interactions

accession description class description compound assay ID (# of activities) # of diseases
(OMIM / KEGG)
Q02750 Dual specificity mitogen-activated protein kinase kinase 1 Ste7 CHEMBL295316 CHEMBL1614327 (1)
1 / 1
P04637 Cellular tumor antigen p53 Transcription Factor CHEMBL295316 CHEMBL1613992 (2) CHEMBL1613995 (2)
7 / 44
Q16637 Survival motor neuron protein Unclassified protein CHEMBL295316 CHEMBL1613842 (1)
4 / 2
P29466 Caspase-1 C14 CHEMBL295316 CHEMBL1614158 (2)
0 / 0
Q99558 Mitogen-activated protein kinase kinase kinase 14 Unique STE serine/threonine protein kinase CHEMBL295316 CHEMBL1212348 (1) CHEMBL1212349 (1)
0 / 0
P54132 Bloom syndrome protein Enzyme CHEMBL295316 CHEMBL1614067 (1)
1 / 2
P11387 DNA topoisomerase 1 Isomerase CHEMBL295316 CHEMBL847689 (1)
0 / 0
P11473 Vitamin D3 receptor NR1I1 CHEMBL295316 CHEMBL1794311 (2)
2 / 3
P00352 Retinal dehydrogenase 1 Enzyme CHEMBL295316 CHEMBL1614458 (2)
0 / 0
Q92830 Histone acetyltransferase KAT2A Enzyme CHEMBL295316 CHEMBL1738606 (1)
0 / 0
Q04206 Transcription factor p65 Transcription Factor CHEMBL295316 CHEMBL2019540 (1)
0 / 0
P11021 78 kDa glucose-regulated protein Unclassified protein CHEMBL295316 CHEMBL1963893 (2)
0 / 0
O94782 Ubiquitin carboxyl-terminal hydrolase 1 Enzyme CHEMBL295316 CHEMBL1794467 (2)
0 / 0
P28482 Mitogen-activated protein kinase 1 Erk CHEMBL295316 CHEMBL1614521 (1) CHEMBL1613808 (2)
CHEMBL1614438 (1)
0 / 0
Q99714 3-hydroxyacyl-CoA dehydrogenase type-2 Enzyme CHEMBL295316 CHEMBL1613910 (2)
3 / 3
P15428 15-hydroxyprostaglandin dehydrogenase [NAD(+)] Enzyme CHEMBL295316 CHEMBL1614038 (1)
2 / 2
P16050 Arachidonate 15-lipoxygenase Enzyme CHEMBL295316 CHEMBL1614240 (1)
0 / 0
P55210 Caspase-7 C14 CHEMBL295316 CHEMBL1613779 (1)
0 / 0
P08684 Cytochrome P450 3A4 Cytochrome P450 3A4 CHEMBL295316 CHEMBL1614108 (1) CHEMBL1613886 (1)
0 / 1
P27695 DNA-(apurinic or apyrimidinic site) lyase Enzyme CHEMBL295316 CHEMBL1614211 (1)
0 / 0
P10636 Microtubule-associated protein tau Unclassified protein CHEMBL295316 CHEMBL1614250 (2) CHEMBL1614421 (2)
CHEMBL1614502 (2)
4 / 3
P04049 RAF proto-oncogene serine/threonine-protein kinase Raf CHEMBL295316 CHEMBL1613772 (1)
2 / 0
Q9UBT6 DNA polymerase kappa Enzyme CHEMBL295316 CHEMBL1794536 (1)
0 / 0
B2RXH2 Lysine-specific demethylase 4E Enzyme CHEMBL295316 CHEMBL1613914 (2)
0 / 0
P46063 ATP-dependent DNA helicase Q1 Enzyme CHEMBL295316 CHEMBL1613829 (1)
0 / 0
Q9NUW8 Tyrosyl-DNA phosphodiesterase 1 Enzyme CHEMBL295316 CHEMBL1614364 (1)
1 / 1
O00255 Menin Unclassified protein CHEMBL295316 CHEMBL1614257 (2) CHEMBL1614531 (2)
2 / 5
Q03164 Histone-lysine N-methyltransferase 2A Enzyme CHEMBL295316 CHEMBL1614257 (2) CHEMBL1614531 (2)
1 / 3

CTD interaction (24)

compound gene gene name gene description interaction interaction type form reference
pmid
C014758 207 AKT1
AKT
CWS6
PKB
PKB-ALPHA
PRKBA
RAC
RAC-ALPHA
v-akt murine thymoma viral oncogene homolog 1 (EC:2.7.11.1) plumbagin results in increased phosphorylation of AKT1 protein increases phosphorylation
protein 20028456
C014758 2730 GCLM
GLCLR
glutamate-cysteine ligase, modifier subunit (EC:6.3.2.2) plumbagin results in increased expression of GCLM mRNA increases expression
mRNA 20028456
C014758 2950 GSTP1
DFN7
FAEES3
GST3
GSTP
PI
glutathione S-transferase pi 1 (EC:2.5.1.18) plumbagin results in increased expression of GSTP1 mRNA increases expression
mRNA 20028456
C014758 3162 HMOX1
HMOX1D
HO-1
HSP32
bK286B10
heme oxygenase (decycling) 1 (EC:1.14.99.3) 2-(2-amino-3-methoxyphenyl)-4H-1-benzopyran-4-one inhibits the reaction [plumbagin results in increased expression of HMOX1 protein] decreases reaction
/ increases expression
protein 20028456
C014758 3162 HMOX1
HMOX1D
HO-1
HSP32
bK286B10
heme oxygenase (decycling) 1 (EC:1.14.99.3) NFE2L2 mRNA affects the reaction [plumbagin results in increased expression of HMOX1 mRNA] affects reaction
/ increases expression
mRNA 20028456
C014758 3162 HMOX1
HMOX1D
HO-1
HSP32
bK286B10
heme oxygenase (decycling) 1 (EC:1.14.99.3) plumbagin results in increased expression of HMOX1 mRNA increases expression
mRNA 20028456
C014758 3162 HMOX1
HMOX1D
HO-1
HSP32
bK286B10
heme oxygenase (decycling) 1 (EC:1.14.99.3) plumbagin results in increased expression of HMOX1 protein increases expression
protein 20028456
C014758 3162 HMOX1
HMOX1D
HO-1
HSP32
bK286B10
heme oxygenase (decycling) 1 (EC:1.14.99.3) wortmannin inhibits the reaction [plumbagin results in increased expression of HMOX1 protein] decreases reaction
/ increases expression
protein 20028456
C014758 5594 MAPK1
ERK
ERK2
ERT1
MAPK2
P42MAPK
PRKM1
PRKM2
p38
p40
p41
p41mapk
mitogen-activated protein kinase 1 (EC:2.7.11.24) plumbagin results in increased phosphorylation of MAPK1 protein increases phosphorylation
protein 20028456
C014758 5595 MAPK3
ERK-1
ERK1
ERT2
HS44KDAP
HUMKER1A
P44ERK1
P44MAPK
PRKM3
p44-ERK1
p44-MAPK
mitogen-activated protein kinase 3 (EC:2.7.11.24) plumbagin results in increased phosphorylation of MAPK3 protein increases phosphorylation
protein 20028456
C014758 4780 NFE2L2
NRF2
nuclear factor, erythroid 2-like 2 NFE2L2 mRNA affects the reaction [plumbagin results in decreased susceptibility to tert-Butylhydroperoxide] affects reaction
/ decreases response to substance
mRNA 20028456
C014758 4780 NFE2L2
NRF2
nuclear factor, erythroid 2-like 2 NFE2L2 mRNA affects the reaction [plumbagin results in increased expression of HMOX1 mRNA] affects reaction
/ increases expression
mRNA 20028456
C014758 4780 NFE2L2
NRF2
nuclear factor, erythroid 2-like 2 NFE2L2 mRNA affects the susceptibility to plumbagin affects response to substance
mRNA 20028456
C014758 4780 NFE2L2
NRF2
nuclear factor, erythroid 2-like 2 plumbagin affects the localization of NFE2L2 protein affects localization
protein 20028456
C014758 1728 NQO1
DHQU
DIA4
DTD
NMOR1
NMORI
QR1
NAD(P)H dehydrogenase, quinone 1 (EC:1.6.5.2) 2-(2-amino-3-methoxyphenyl)-4H-1-benzopyran-4-one inhibits the reaction [plumbagin results in increased expression of NQO1 protein] decreases reaction
/ increases expression
protein 20028456
C014758 1728 NQO1
DHQU
DIA4
DTD
NMOR1
NMORI
QR1
NAD(P)H dehydrogenase, quinone 1 (EC:1.6.5.2) plumbagin results in increased expression of NQO1 mRNA increases expression
mRNA 20028456
C014758 1728 NQO1
DHQU
DIA4
DTD
NMOR1
NMORI
QR1
NAD(P)H dehydrogenase, quinone 1 (EC:1.6.5.2) plumbagin results in increased expression of NQO1 protein increases expression
protein 20028456
C014758 1728 NQO1
DHQU
DIA4
DTD
NMOR1
NMORI
QR1
NAD(P)H dehydrogenase, quinone 1 (EC:1.6.5.2) wortmannin inhibits the reaction [plumbagin results in increased expression of NQO1 protein] decreases reaction
/ increases expression
protein 20028456
C014758 7296 TXNRD1
GRIM-12
TR
TR1
TRXR1
TXNR
thioredoxin reductase 1 (EC:1.8.1.9) plumbagin results in increased expression of TXNRD1 mRNA increases expression
mRNA 20028456
C014758 54658 UGT1A1
BILIQTL1
GNT1
HUG-BR1
UDPGT
UDPGT_1-1
UGT1
UGT1A
UDP glucuronosyltransferase 1 family, polypeptide A1 (EC:2.4.1.17) UGT1A1 protein results in increased glucuronidation of plumbagin increases glucuronidation
protein 14557274
C014758 54575 UGT1A10
UDPGT
UGT-1J
UGT1-10
UGT1.10
UGT1J
UDP glucuronosyltransferase 1 family, polypeptide A10 (EC:2.4.1.17) UGT1A10 protein results in increased glucuronidation of plumbagin increases glucuronidation
protein 14557274
C014758 54577 UGT1A7
UDPGT
UDPGT_1-7
UGT-1G
UGT1-07
UGT1.7
UGT1G
UDP glucuronosyltransferase 1 family, polypeptide A7 (EC:2.4.1.17) UGT1A7 protein results in increased glucuronidation of plumbagin increases glucuronidation
protein 14557274
C014758 54576 UGT1A8
UDPGT
UDPGT_1-8
UGT-1H
UGT1-08
UGT1.8
UGT1A8S
UGT1H
UDP glucuronosyltransferase 1 family, polypeptide A8 (EC:2.4.1.17) UGT1A8 protein results in increased glucuronidation of plumbagin increases glucuronidation
protein 14557274
C014758 54600 UGT1A9
HLUGP4
LUGP4
UDPGT
UDPGT_1-9
UGT-1I
UGT1-09
UGT1-9
UGT1.9
UGT1AI
UGT1I
UDP glucuronosyltransferase 1 family, polypeptide A9 (EC:2.4.1.17) UGT1A9 protein results in increased glucuronidation of plumbagin increases glucuronidation
protein 14557274

Related Disease

Diseases related to proteins in ChEMBL interactions

OMIM (30)

OMIM preferred title UniProt
#300438 17-beta-hydroxysteroid dehydrogenase x deficiency Q99714
#202300 Adrenocortical carcinoma, hereditary; adcc P04637
#614740 Basal cell carcinoma, susceptibility to, 7; bcc7 P04637
#210900 Bloom syndrome; blm P54132
#615279 Cardiofaciocutaneous syndrome 3; cfc3 Q02750
#119900 Digital clubbing, isolated congenital P15428
#133239 Esophageal cancer P04637
#600274 Frontotemporal dementia; ftd P10636
#605130 Hairy elbows, short stature, facial dysmorphism, and developmental delay Q03164
#145000 Hyperparathyroidism 1; hrpt1 O00255
#259100 Hypertrophic osteoarthropathy, primary, autosomal recessive, 1; phoar1 P15428
#611554 Leopard syndrome 2 P04049
#151623 Li-fraumeni syndrome 1; lfs1 P04637
#211980 Lung cancer P04637
#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
#607948 Mycobacterium tuberculosis, susceptibility to P11473
#611553 Noonan syndrome 5; ns5 P04049
#260500 Papilloma of choroid plexus; cpp P04637
#260540 Parkinson-dementia syndrome P10636
#172700 Pick disease of brain P10636
#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
#607250 Spinocerebellar ataxia, autosomal recessive, with axonal neuropathy; scan1 Q9NUW8
#275355 Squamous cell carcinoma, head and neck; hnscc P04637
#601104 Supranuclear palsy, progressive, 1; psnp1 P10636
#277440 Vitamin d-dependent rickets, type 2a; vddr2a P11473

KEGG DISEASE (59)

KEGG disease name UniProt
H00033 Adrenal carcinoma O00255 (related)
P04637 (related)
H00034 Carcinoid O00255 (related)
H00045 Malignant islet cell carcinoma O00255 (related)
H00246 Primary hyperparathyroidism O00255 (related)
H01102 Pituitary adenomas O00255 (related)
H00004 Chronic myeloid leukemia (CML) P04637 (related)
H00005 Chronic lymphocytic leukemia (CLL) P04637 (related)
H00006 Hairy-cell leukemia P04637 (related)
H00008 Burkitt lymphoma P04637 (related)
H00009 Adult T-cell leukemia P04637 (related)
H00010 Multiple myeloma P04637 (related)
H00013 Small cell lung cancer P04637 (related)
H00014 Non-small cell lung cancer P04637 (related)
H00015 Malignant pleural mesothelioma P04637 (related)
H00016 Oral cancer P04637 (related)
P04637 (marker)
H00017 Esophageal cancer P04637 (related)
P04637 (marker)
H00018 Gastric cancer P04637 (related)
H00019 Pancreatic cancer P04637 (related)
P04637 (marker)
H00020 Colorectal cancer P04637 (related)
P04637 (marker)
H00022 Bladder cancer P04637 (related)
H00025 Penile cancer P04637 (related)
P04637 (marker)
H00026 Endometrial Cancer P04637 (related)
H00027 Ovarian cancer P04637 (related)
H00028 Choriocarcinoma P04637 (related)
H00029 Vulvar cancer P04637 (related)
H00031 Breast cancer P04637 (related)
H00032 Thyroid cancer P04637 (related)
H00036 Osteosarcoma P04637 (related)
P08684 (marker)
H00038 Malignant melanoma P04637 (related)
H00039 Basal cell carcinoma P04637 (related)
H00040 Squamous cell carcinoma P04637 (related)
H00041 Kaposi's sarcoma P04637 (related)
H00042 Glioma P04637 (related)
P04637 (marker)
H00044 Cancer of the anal canal P04637 (related)
H00046 Cholangiocarcinoma P04637 (related)
H00047 Gallbladder cancer P04637 (related)
H00048 Hepatocellular carcinoma P04637 (related)
H00055 Laryngeal cancer P04637 (related)
P04637 (marker)
H00881 Li-Fraumeni syndrome P04637 (related)
H01007 Choroid plexus papilloma P04637 (related)
H00021 Renal cell carcinoma P04637 (marker)
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)
H00457 Primary hypertrophic osteoarthropathy (PHO) P15428 (related)
H01246 Isolated congenital nail clubbing (ICNC) P15428 (related)
H00094 DNA repair defects P54132 (related)
H00296 Defects in RecQ helicases P54132 (related)
H00523 Noonan syndrome and related disorders Q02750 (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)
H00455 Spinal muscular atrophy (SMA) Q16637 (related)
Q16637 (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

3 disease from interactions of metabolites

MeSH disease OMIM compound disease name evidence type reference
pmid
D001284 C014758 Atrophy marker/mechanism
20576514
D006968 C014758 Hypersensitivity, Delayed therapeutic
20576514
D020244 C014758 Infarction, Middle Cerebral Artery therapeutic
20028456