PCIDB

KNApSAcK Metabolite C00002952

Metabolite

KNApSAcK Entry

id C00002952
Name Gentiacaulein / 1,7-Dihydroxy-3,8-dimethoxyxantone
CAS RN 15402-27-4
Standard InChI InChI=1S/C15H12O6/c1-19-7-5-9(17)12-11(6-7)21-10-4-3-8(16)15(20-2)13(10)14(12)18/h3-6,16-17H,1-2H3
Standard InChI (Main Layer) InChI=1S/C15H12O6/c1-19-7-5-9(17)12-11(6-7)21-10-4-3-8(16)15(20-2)13(10)14(12)18/h3-6,16-17H,1-2H3

Cluster

Phytochemical cluster No. 15
KCF-S cluster No. 3

Link

ChEMBL

By standard InChI CHEMBL467590
By standard InChI Main Layer CHEMBL467590

KEGG

By LinkDB C10064

CTD

By CAS RN

Species

Summary

Plant class

class name count
asterids 21
rosids 2

Family

family name count
Gentianaceae 21
Calophyllaceae 2

List (23)

* NCBI
KNApSAcK organism *ID *family *plant class *kingdom
Gentiana barbata 21496 Gentianaceae asterids Viridiplantae
Gentiana bavarica 49937 Gentianaceae asterids Viridiplantae
Gentiana brachyphylla 49939 Gentianaceae asterids Viridiplantae
Gentiana ciliata 49941 Gentianaceae asterids Viridiplantae
Gentiana detonsa 21496 Gentianaceae asterids Viridiplantae
Gentiana favrati 21496 Gentianaceae asterids Viridiplantae
Gentiana karelinii 21496 Gentianaceae asterids Viridiplantae
Gentiana kochiana 21496 Gentianaceae asterids Viridiplantae
Gentiana nivalis 38852 Gentianaceae asterids Viridiplantae
Gentiana rostanii 442720 Gentianaceae asterids Viridiplantae
Gentiana schleicheri 442721 Gentianaceae asterids Viridiplantae
Gentiana utriculosa 49958 Gentianaceae asterids Viridiplantae
Gentiana verna 38855 Gentianaceae asterids Viridiplantae
Gentianopsis paludosa 50802 Gentianaceae asterids Viridiplantae
Haploclathra leiantha 279247 Calophyllaceae rosids Viridiplantae
Haploclathra paniculata 280743 Calophyllaceae rosids Viridiplantae
Swertia dilatata 559635 Gentianaceae asterids Viridiplantae
Swertia gracilescens 39241 Gentianaceae asterids Viridiplantae
Swertia nervosa 363513 Gentianaceae asterids Viridiplantae
Swertia perennis 39379 Gentianaceae asterids Viridiplantae
Swertia punicea 137131 Gentianaceae asterids Viridiplantae
Swertia racemosa 137132 Gentianaceae asterids Viridiplantae
Swertia speciosa 39241 Gentianaceae asterids Viridiplantae

Human Protein / Gene in interaction

12 ChEMBL Protein in interactions

accession description class description compound assay ID (# of activities) # of diseases
(OMIM / KEGG)
P04637 Cellular tumor antigen p53 Transcription Factor CHEMBL467590 CHEMBL1738132 (1)
7 / 44
Q99700 Ataxin-2 Unclassified protein CHEMBL467590 CHEMBL2114784 (1)
1 / 1
P02545 Prelamin-A/C Unclassified protein CHEMBL467590 CHEMBL1614544 (1)
11 / 10
P00352 Retinal dehydrogenase 1 Enzyme CHEMBL467590 CHEMBL1614458 (1)
0 / 0
P43220 Glucagon-like peptide 1 receptor Glucagon-like peptide receptor CHEMBL467590 CHEMBL2114788 (1)
0 / 0
P15428 15-hydroxyprostaglandin dehydrogenase [NAD(+)] Enzyme CHEMBL467590 CHEMBL1614038 (1)
2 / 2
Q96QE3 ATPase family AAA domain-containing protein 5 Unclassified protein CHEMBL467590 CHEMBL1738588 (1) CHEMBL1738317 (1)
0 / 0
P10636 Microtubule-associated protein tau Unclassified protein CHEMBL467590 CHEMBL1614421 (1) CHEMBL1614502 (1)
4 / 3
Q16236 Nuclear factor erythroid 2-related factor 2 Unclassified protein CHEMBL467590 CHEMBL1738184 (1)
0 / 0
B2RXH2 Lysine-specific demethylase 4E Enzyme CHEMBL467590 CHEMBL1613914 (1)
0 / 0
Q96KQ7 Histone-lysine N-methyltransferase EHMT2 Enzyme CHEMBL467590 CHEMBL1738442 (1)
0 / 0
Q13148 TAR DNA-binding protein 43 Unclassified protein CHEMBL467590 CHEMBL2354287 (1)
1 / 1

Related Disease

Diseases related to proteins in ChEMBL interactions

OMIM (26)

OMIM preferred title UniProt
#202300 Adrenocortical carcinoma, hereditary; adcc P04637
#612069 Amyotrophic lateral sclerosis 10, with or without frontotemporal dementia; als10 Q13148
#614740 Basal cell carcinoma, susceptibility to, 7; bcc7 P04637
#115200 Cardiomyopathy, dilated, 1a; cmd1a P02545
#212112 Cardiomyopathy, dilated, with hypergonadotropic hypogonadism P02545
#605588 Charcot-marie-tooth disease, axonal, type 2b1; cmt2b1 P02545
#119900 Digital clubbing, isolated congenital P15428
#181350 Emery-dreifuss muscular dystrophy 2, autosomal dominant; edmd2 P02545
#133239 Esophageal cancer P04637
#600274 Frontotemporal dementia; ftd P10636
#610140 Heart-hand syndrome, slovenian type P02545
#176670 Hutchinson-gilford progeria syndrome; hgps P02545
#259100 Hypertrophic osteoarthropathy, primary, autosomal recessive, 1; phoar1 P15428
#151623 Li-fraumeni syndrome 1; lfs1 P04637
#151660 Lipodystrophy, familial partial, type 2; fpld2 P02545
#211980 Lung cancer P04637
#248370 Mandibuloacral dysplasia with type a lipodystrophy; mada P02545
#613205 Muscular dystrophy, congenital, lmna-related P02545
#159001 Muscular dystrophy, limb-girdle, type 1b; lgmd1b P02545
#260500 Papilloma of choroid plexus; cpp P04637
#260540 Parkinson-dementia syndrome P10636
#172700 Pick disease of brain P10636
#275210 Restrictive dermopathy, lethal P02545
#183090 Spinocerebellar ataxia 2; sca2 Q99700
#275355 Squamous cell carcinoma, head and neck; hnscc P04637
#601104 Supranuclear palsy, progressive, 1; psnp1 P10636

KEGG DISEASE (53)

KEGG disease name UniProt
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)
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)
H00033 Adrenal carcinoma P04637 (related)
H00036 Osteosarcoma P04637 (related)
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)
Q13148 (related)
H00077 Progressive supranuclear palsy (PSP) P10636 (related)
H00078 Frontotemporal lobar degeneration (FTLD) P10636 (related)
H00457 Primary hypertrophic osteoarthropathy (PHO) P15428 (related)
H01246 Isolated congenital nail clubbing (ICNC) P15428 (related)
H00063 Spinocerebellar ataxia (SCA) Q99700 (related)