PCIDB

KNApSAcK Metabolite C00003689

Metabolite

KNApSAcK Entry

id C00003689
Name Cucurbitacin I
CAS RN 2222-07-3
Standard InChI InChI=1S/C30H42O7/c1-25(2,36)12-11-21(33)30(8,37)23-19(32)14-27(5)20-10-9-16-17(13-18(31)24(35)26(16,3)4)29(20,7)22(34)15-28(23,27)6/h9,11-13,17,19-20,23,31-32,36-37H,10,14-15H2,1-8H3/b12-11+/t17-,19-,20+,23+,27+,28-,29+,30+/m1/s1
Standard InChI (Main Layer) InChI=1S/C30H42O7/c1-25(2,36)12-11-21(33)30(8,37)23-19(32)14-27(5)20-10-9-16-17(13-18(31)24(35)26(16,3)4)29(20,7)22(34)15-28(23,27)6/h9,11-13,17,19-20,23,31-32,36-37H,10,14-15H2,1-8H3

Cluster

Phytochemical cluster No. 11
KCF-S cluster No. 220

Link

ChEMBL

By standard InChI CHEMBL387737
By standard InChI Main Layer CHEMBL387737 CHEMBL1317135 CHEMBL1717364

KEGG

By LinkDB C08800

CTD

By CAS RN C038106

Human Protein / Gene in interaction

20 ChEMBL Protein in interactions

accession description class description compound assay ID (# of activities) # of diseases
(OMIM / KEGG)
P10635 Cytochrome P450 2D6 Cytochrome P450 2D6 CHEMBL1317135 CHEMBL1741321 (1)
1 / 0
Q16637 Survival motor neuron protein Unclassified protein CHEMBL1317135 CHEMBL1613842 (1)
4 / 2
Q99700 Ataxin-2 Unclassified protein CHEMBL1717364 CHEMBL2114784 (1)
1 / 1
P11712 Cytochrome P450 2C9 Cytochrome P450 2C9 CHEMBL1317135 CHEMBL1741325 (1)
0 / 1
P11473 Vitamin D3 receptor NR1I1 CHEMBL1717364 CHEMBL1794311 (1)
2 / 3
P20701 Integrin alpha-L Membrane receptor CHEMBL387737 CHEMBL1017447 (1)
0 / 0
Q16665 Hypoxia-inducible factor 1-alpha Transcription Factor CHEMBL1317135 CHEMBL1614456 (1) CHEMBL1613803 (1)
0 / 0
P84022 Mothers against decapentaplegic homolog 3 Unclassified protein CHEMBL1717364 CHEMBL1794584 (1)
2 / 0
O75496 Geminin Unclassified protein CHEMBL1717364 CHEMBL2114843 (1) CHEMBL2114780 (1)
0 / 0
P23528 Cofilin-1 Unclassified protein CHEMBL387737 CHEMBL1109057 (1)
0 / 0
P43220 Glucagon-like peptide 1 receptor Glucagon-like peptide receptor CHEMBL1717364 CHEMBL2114788 (1)
0 / 0
P11308 Transcriptional regulator ERG Unclassified protein CHEMBL1717364 CHEMBL2114723 (1) CHEMBL2114924 (1)
1 / 2
P05177 Cytochrome P450 1A2 Cytochrome P450 1A2 CHEMBL1317135 CHEMBL1741322 (1)
0 / 0
P33261 Cytochrome P450 2C19 Cytochrome P450 2C19 CHEMBL1317135 CHEMBL1741323 (1)
1 / 1
P08684 Cytochrome P450 3A4 Cytochrome P450 3A4 CHEMBL1317135 CHEMBL1614108 (1) CHEMBL1613886 (1)
CHEMBL1741324 (1)
0 / 1
Q16236 Nuclear factor erythroid 2-related factor 2 Unclassified protein CHEMBL1717364 CHEMBL1738184 (1)
0 / 0
P31939 Bifunctional purine biosynthesis protein PURH Enzyme CHEMBL387737 CHEMBL914875 (1)
1 / 1
O75874 Isocitrate dehydrogenase [NADP] cytoplasmic Enzyme CHEMBL1717364 CHEMBL2354311 (1)
1 / 0
P01215 Glycoprotein hormones alpha chain Unclassified protein CHEMBL1717364 CHEMBL2114913 (1)
0 / 3
Q06710 Paired box protein Pax-8 Unclassified protein CHEMBL1717364 CHEMBL2354247 (1) CHEMBL2354301 (1)
1 / 2

CTD interaction (2)

compound gene gene name gene description interaction interaction type form reference
pmid
C038106 3717 JAK2
JTK10
THCYT3
Janus kinase 2 (EC:2.7.10.2) cucurbitacin I inhibits the reaction [glycine-extended gastrin 17 results in increased phosphorylation of and results in increased activity of JAK2 protein] decreases reaction
/ increases activity
/ increases phosphorylation
protein 19153190
C038106 6774 STAT3
APRF
HIES
signal transducer and activator of transcription 3 (acute-phase response factor) cucurbitacin I inhibits the reaction [glycine-extended gastrin 17 results in increased phosphorylation of and results in increased activity of STAT3 protein] decreases reaction
/ increases activity
/ increases phosphorylation
protein 19153190

Related Disease

Diseases related to proteins in ChEMBL interactions

OMIM (15)

OMIM preferred title UniProt
#608688 Aicar transformylase/imp cyclohydrolase deficiency P31939
#114500 Colorectal cancer; crc P84022
#609535 Drug metabolism, poor, cyp2c19-related P33261
#608902 Drug metabolism, poor, cyp2d6-related P10635
#612219 Ewing sarcoma; es P11308
#137800 Glioma susceptibility 1; glm1 O75874
#218700 Hypothyroidism, congenital, nongoitrous, 2; chng2 Q06710
#613795 Loeys-dietz syndrome, type 3; lds3 P84022
#607948 Mycobacterium tuberculosis, susceptibility to P11473
#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
#183090 Spinocerebellar ataxia 2; sca2 Q99700
#277440 Vitamin d-dependent rickets, type 2a; vddr2a P11473

KEGG DISEASE (15)

KEGG disease name UniProt
H00081 Hashimoto's thyroiditis P01215 (marker)
H00082 Graves' disease P01215 (marker)
H00250 Congenital nongoitrous hypothyroidism (CHNG) P01215 (marker)
Q06710 (related)
H00036 Osteosarcoma P08684 (marker)
H00024 Prostate cancer P11308 (related)
H00035 Ewing's sarcoma P11308 (related)
H00342 Tuberculosis P11473 (related)
H00784 Localized autosomal recessive hypotrichosis P11473 (related)
H01143 Vitamin D-dependent rickets P11473 (related)
H01205 Coumarin resistance P11712 (related)
H00966 AICA-ribosiduria P31939 (related)
H01171 Poor drug metabolism (PM) P33261 (related)
H00032 Thyroid cancer Q06710 (related)
H00455 Spinal muscular atrophy (SMA) Q16637 (related)
Q16637 (related)
H00063 Spinocerebellar ataxia (SCA) Q99700 (related)