PCIDB

KNApSAcK Metabolite C00033270

Metabolite

KNApSAcK Entry

id C00033270
Name Oridonin
CAS RN 28957-04-2
Standard InChI InChI=1S/C20H28O6/c1-9-10-4-5-11-18-8-26-20(25,19(11,14(9)22)15(10)23)16(24)13(18)17(2,3)7-6-12(18)21/h10-13,15-16,21,23-25H,1,4-8H2,2-3H3/t10-,11-,12-,13+,15?,16-,18+,19-,20+/m0/s1
Standard InChI (Main Layer) InChI=1S/C20H28O6/c1-9-10-4-5-11-18-8-26-20(25,19(11,14(9)22)15(10)23)16(24)13(18)17(2,3)7-6-12(18)21/h10-13,15-16,21,23-25H,1,4-8H2,2-3H3

Cluster

Phytochemical cluster
KCF-S cluster No. 83

Link

ChEMBL

By standard InChI
By standard InChI Main Layer CHEMBL454570 CHEMBL1164920 CHEMBL1434305 CHEMBL1603292 CHEMBL1971982 CHEMBL1980693 CHEMBL1994242 CHEMBL2165229

KEGG

By LinkDB

CTD

By CAS RN C011959

Human Protein / Gene in interaction

11 ChEMBL Protein in interactions

accession description class description compound assay ID (# of activities) # of diseases
(OMIM / KEGG)
P04637 Cellular tumor antigen p53 Transcription Factor CHEMBL1434305 CHEMBL1613992 (1) CHEMBL1613995 (1)
7 / 44
Q16637 Survival motor neuron protein Unclassified protein CHEMBL1434305 CHEMBL1613842 (1)
4 / 2
O75604 Ubiquitin carboxyl-terminal hydrolase 2 Enzyme CHEMBL1434305 CHEMBL1614331 (1)
0 / 0
P11473 Vitamin D3 receptor NR1I1 CHEMBL1434305 CHEMBL1603292 CHEMBL1794311 (2)
2 / 3
P00352 Retinal dehydrogenase 1 Enzyme CHEMBL1434305 CHEMBL1614458 (1)
0 / 0
P11021 78 kDa glucose-regulated protein Unclassified protein CHEMBL1434305 CHEMBL1963893 (1)
0 / 0
P28482 Mitogen-activated protein kinase 1 Erk CHEMBL1434305 CHEMBL1613808 (1)
0 / 0
Q99714 3-hydroxyacyl-CoA dehydrogenase type-2 Enzyme CHEMBL1434305 CHEMBL1613910 (1)
3 / 3
P15428 15-hydroxyprostaglandin dehydrogenase [NAD(+)] Enzyme CHEMBL1434305 CHEMBL1603292 CHEMBL1614038 (2)
2 / 2
B2RXH2 Lysine-specific demethylase 4E Enzyme CHEMBL1434305 CHEMBL1613914 (1)
0 / 0
Q96KQ7 Histone-lysine N-methyltransferase EHMT2 Enzyme CHEMBL1603292 CHEMBL1738442 (1)
0 / 0

CTD interaction (3)

compound gene gene name gene description interaction interaction type form reference
pmid
C011959 596 BCL2
Bcl-2
PPP1R50
B-cell CLL/lymphoma 2 oridonin results in decreased expression of BCL2 protein decreases expression
protein 16019488
C011959 836 CASP3
CPP32
CPP32B
SCA-1
caspase 3, apoptosis-related cysteine peptidase (EC:3.4.22.56) oridonin results in increased cleavage of CASP3 protein increases cleavage
protein 16019488
C011959 142 PARP1
ADPRT
ADPRT_1
ADPRT1
ARTD1
PARP
PARP-1
PPOL
pADPRT-1
poly (ADP-ribose) polymerase 1 (EC:2.4.2.30) oridonin results in increased cleavage of PARP1 protein increases cleavage
protein 16019488

Related Disease

Diseases related to proteins in ChEMBL interactions

OMIM (18)

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
#119900 Digital clubbing, isolated congenital P15428
#133239 Esophageal cancer P04637
#259100 Hypertrophic osteoarthropathy, primary, autosomal recessive, 1; phoar1 P15428
#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
#607948 Mycobacterium tuberculosis, susceptibility to P11473
#260500 Papilloma of choroid plexus; cpp P04637
#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
#275355 Squamous cell carcinoma, head and neck; hnscc P04637
#277440 Vitamin d-dependent rickets, type 2a; vddr2a P11473

KEGG DISEASE (46)

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)
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)
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)