PCIDB

KNApSAcK Metabolite C00002654

Metabolite

KNApSAcK Entry

id C00002654
Name Guaiacol / o-Guaiacol
CAS RN 90-05-1
Standard InChI InChI=1S/C7H8O2/c1-9-7-5-3-2-4-6(7)8/h2-5,8H,1H3
Standard InChI (Main Layer) InChI=1S/C7H8O2/c1-9-7-5-3-2-4-6(7)8/h2-5,8H,1H3

Cluster

Phytochemical cluster
KCF-S cluster No. 2352

Link

ChEMBL

By standard InChI CHEMBL13766
By standard InChI Main Layer CHEMBL13766

KEGG

By LinkDB C01502

CTD

By CAS RN D006139

Human Protein / Gene in interaction

15 ChEMBL Protein in interactions

accession description class description compound assay ID (# of activities) # of diseases
(OMIM / KEGG)
P04637 Cellular tumor antigen p53 Transcription Factor CHEMBL13766 CHEMBL1613995 (1)
7 / 44
P09917 Arachidonate 5-lipoxygenase Oxidoreductase CHEMBL13766 CHEMBL1664429 (1)
0 / 0
P22894 Neutrophil collagenase M10A CHEMBL13766 CHEMBL1664434 (1)
0 / 0
P14780 Matrix metalloproteinase-9 M10A CHEMBL13766 CHEMBL1664435 (1)
2 / 2
P16473 Thyrotropin receptor Glycohormone receptor CHEMBL13766 CHEMBL1614281 (1) CHEMBL1614361 (1)
3 / 2
P00918 Carbonic anhydrase 2 Lyase CHEMBL13766 CHEMBL956075 (1)
1 / 2
P00915 Carbonic anhydrase 1 Lyase CHEMBL13766 CHEMBL956074 (1)
0 / 0
P03956 Interstitial collagenase M10A CHEMBL13766 CHEMBL1664431 (1)
0 / 1
P08253 72 kDa type IV collagenase M10A CHEMBL13766 CHEMBL1664432 (1)
1 / 3
P51449 Nuclear receptor ROR-gamma Nuclear hormone receptor subfamily 1 group F member 3 CHEMBL13766 CHEMBL2114842 (1)
0 / 0
Q96QE3 ATPase family AAA domain-containing protein 5 Unclassified protein CHEMBL13766 CHEMBL1738588 (1)
0 / 0
Q16236 Nuclear factor erythroid 2-related factor 2 Unclassified protein CHEMBL13766 CHEMBL1738184 (1)
0 / 0
P10275 Androgen receptor NR3C4 CHEMBL13766 CHEMBL1794321 (1)
3 / 4
P08254 Stromelysin-1 M10A CHEMBL13766 CHEMBL1664433 (1)
1 / 0
Q96KQ7 Histone-lysine N-methyltransferase EHMT2 Enzyme CHEMBL13766 CHEMBL1738442 (1)
0 / 0

CTD interaction (3)

compound gene gene name gene description interaction interaction type form reference
pmid
D006139 213 ALB
PRO0883
PRO0903
PRO1341
albumin Guaiacol binds to ALB protein affects binding
protein 11334365
D006139 759 CA1
CA-I
CAB
Car1
carbonic anhydrase I (EC:4.2.1.1) Guaiacol results in decreased activity of CA1 protein decreases activity
protein 19231207
D006139 760 CA2
CA-II
CAC
CAII
Car2
carbonic anhydrase II (EC:4.2.1.1) Guaiacol results in decreased activity of CA2 protein decreases activity
protein 19231207

Related Disease

Diseases related to proteins in ChEMBL interactions

OMIM (18)

OMIM preferred title UniProt
#202300 Adrenocortical carcinoma, hereditary; adcc P04637
#300068 Androgen insensitivity syndrome; ais P10275
#312300 Androgen insensitivity, partial; pais P10275
#614740 Basal cell carcinoma, susceptibility to, 7; bcc7 P04637
#614466 Coronary heart disease, susceptibility to, 6; chds6 P08254
#133239 Esophageal cancer P04637
#603373 Hyperthyroidism, familial gestational P16473
#609152 Hyperthyroidism, nonautoimmune P16473
#275200 Hypothyroidism, congenital, nongoitrous, 1; chng1 P16473
#603932 Intervertebral disc disease; idd P14780
#151623 Li-fraumeni syndrome 1; lfs1 P04637
#211980 Lung cancer P04637
#613073 Metaphyseal anadysplasia 2; mandp2 P14780
#259600 Multicentric osteolysis, nodulosis, and arthropathy; mona P08253
#259730 Osteopetrosis, autosomal recessive 3; optb3 P00918
#260500 Papilloma of choroid plexus; cpp P04637
#313200 Spinal and bulbar muscular atrophy, x-linked 1; smax1 P10275
#275355 Squamous cell carcinoma, head and neck; hnscc P04637

KEGG DISEASE (47)

KEGG disease name UniProt
H00241 Combined proximal and distal renal tubular acidosis (RTA type 3) P00918 (related)
H00436 Osteopetrosis P00918 (related)
H00028 Choriocarcinoma P03956 (related)
P04637 (related)
P08253 (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)
P08253 (related)
P14780 (related)
H00026 Endometrial Cancer P04637 (related)
H00027 Ovarian cancer 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)
H00472 Torg-Winchester syndrome P08253 (related)
H00024 Prostate cancer P10275 (related)
H00062 Spinal and bulbar muscular atrophy (SBMA) P10275 (related)
H00608 46,XY disorders of sex development (Disorders in androgen synthesis or action) P10275 (related)
H00609 46,XY disorders of sex development (Other) P10275 (related)
H00479 Metaphyseal dysplasias P14780 (related)
H00250 Congenital nongoitrous hypothyroidism (CHNG) P16473 (related)
H01269 Congenital hyperthyroidism P16473 (related)

Diseases related to CTD interactions

1 disease from interactions of metabolites

MeSH disease OMIM compound disease name evidence type reference
pmid
D010146 D006139 Pain therapeutic
9126180