PCIDB

KNApSAcK Metabolite C00032088

Metabolite

KNApSAcK Entry

id C00032088
Name Odoratone
CAS RN 16962-90-6
Standard InChI InChI=1S/C30H48O4/c1-17(24-23(32)25(33)27(4,5)34-24)18-11-15-30(8)20-9-10-21-26(2,3)22(31)13-14-28(21,6)19(20)12-16-29(18,30)7/h9,17-19,21,23-25,32-33H,10-16H2,1-8H3/t17-,18+,19+,21+,23+,24-,25+,28-,29+,30-/m1/s1
Standard InChI (Main Layer) InChI=1S/C30H48O4/c1-17(24-23(32)25(33)27(4,5)34-24)18-11-15-30(8)20-9-10-21-26(2,3)22(31)13-14-28(21,6)19(20)12-16-29(18,30)7/h9,17-19,21,23-25,32-33H,10-16H2,1-8H3

Cluster

Phytochemical cluster No. 51
KCF-S cluster No. 264

Link

ChEMBL

By standard InChI
By standard InChI Main Layer CHEMBL1395387

KEGG

By LinkDB

CTD

By CAS RN

Species

Summary

Plant class

class name count
rosids 2

Family

family name count
Meliaceae 2

List (3)

* NCBI
KNApSAcK organism *ID *family *plant class *kingdom
Azadirachata indica
Cedrela graziovii 124946 Meliaceae rosids Viridiplantae
Cedrela odorata 124947 Meliaceae rosids Viridiplantae

Human Protein / Gene in interaction

5 ChEMBL Protein in interactions

accession description class description compound assay ID (# of activities) # of diseases
(OMIM / KEGG)
P04637 Cellular tumor antigen p53 Transcription Factor CHEMBL1395387 CHEMBL1613992 (1)
7 / 44
O75604 Ubiquitin carboxyl-terminal hydrolase 2 Enzyme CHEMBL1395387 CHEMBL1614331 (1)
0 / 0
O94782 Ubiquitin carboxyl-terminal hydrolase 1 Enzyme CHEMBL1395387 CHEMBL1794467 (1)
0 / 0
P28482 Mitogen-activated protein kinase 1 Erk CHEMBL1395387 CHEMBL1613808 (1)
0 / 0
P10636 Microtubule-associated protein tau Unclassified protein CHEMBL1395387 CHEMBL1614421 (1) CHEMBL1614502 (1)
4 / 3

Related Disease

Diseases related to proteins in ChEMBL interactions

OMIM (11)

OMIM preferred title UniProt
#202300 Adrenocortical carcinoma, hereditary; adcc P04637
#614740 Basal cell carcinoma, susceptibility to, 7; bcc7 P04637
#133239 Esophageal cancer P04637
#600274 Frontotemporal dementia; ftd P10636
#151623 Li-fraumeni syndrome 1; lfs1 P04637
#211980 Lung cancer P04637
#260500 Papilloma of choroid plexus; cpp P04637
#260540 Parkinson-dementia syndrome P10636
#172700 Pick disease of brain P10636
#275355 Squamous cell carcinoma, head and neck; hnscc P04637
#601104 Supranuclear palsy, progressive, 1; psnp1 P10636

KEGG DISEASE (40)

KEGG disease name UniProt
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)
H00077 Progressive supranuclear palsy (PSP) P10636 (related)
H00078 Frontotemporal lobar degeneration (FTLD) P10636 (related)