PCIDB

KNApSAcK Metabolite C00003684

Metabolite

KNApSAcK Entry

id C00003684
Name Cucurbitacin C
CAS RN 5988-76-1
Standard InChI InChI=1S/C32H48O8/c1-18(34)40-27(2,3)14-13-24(37)31(8,39)26-21(35)15-29(6)22-11-9-19-20(10-12-23(36)28(19,4)5)32(22,17-33)25(38)16-30(26,29)7/h9,13-14,20-23,26,33,35-36,39H,10-12,15-17H2,1-8H3/b14-13+/t20-,21-,22+,23+,26+,29+,30-,31+,32+/m1/s1
Standard InChI (Main Layer) InChI=1S/C32H48O8/c1-18(34)40-27(2,3)14-13-24(37)31(8,39)26-21(35)15-29(6)22-11-9-19-20(10-12-23(36)28(19,4)5)32(22,17-33)25(38)16-30(26,29)7/h9,13-14,20-23,26,33,35-36,39H,10-12,15-17H2,1-8H3

Cluster

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

Link

ChEMBL

By standard InChI
By standard InChI Main Layer CHEMBL449220 CHEMBL1355541

KEGG

By LinkDB C08795

CTD

By CAS RN

Species

Summary

Plant class

class name count
rosids 2

Family

family name count
Cucurbitaceae 2

List (2)

* NCBI
KNApSAcK organism *ID *family *plant class *kingdom
Bryonia alba 243967 Cucurbitaceae rosids Viridiplantae
Cucumis sativus 3659 Cucurbitaceae rosids Viridiplantae

Human Protein / Gene in interaction

12 ChEMBL Protein in interactions

accession description class description compound assay ID (# of activities) # of diseases
(OMIM / KEGG)
Q99700 Ataxin-2 Unclassified protein CHEMBL1355541 CHEMBL2114784 (1)
1 / 1
P11473 Vitamin D3 receptor NR1I1 CHEMBL1355541 CHEMBL1794311 (1)
2 / 3
P84022 Mothers against decapentaplegic homolog 3 Unclassified protein CHEMBL1355541 CHEMBL1794584 (1)
2 / 0
O75496 Geminin Unclassified protein CHEMBL1355541 CHEMBL2114843 (1) CHEMBL2114780 (1)
0 / 0
P51151 Ras-related protein Rab-9A Unclassified protein CHEMBL1355541 CHEMBL1613838 (1)
0 / 0
Q03164 Histone-lysine N-methyltransferase 2A Enzyme CHEMBL1355541 CHEMBL1614410 (1)
1 / 3
O15118 Niemann-Pick C1 protein Unclassified protein CHEMBL1355541 CHEMBL1614342 (1)
1 / 1
Q96QE3 ATPase family AAA domain-containing protein 5 Unclassified protein CHEMBL1355541 CHEMBL1738588 (1)
0 / 0
Q9UNA4 DNA polymerase iota Enzyme CHEMBL1355541 CHEMBL1794483 (1)
0 / 0
Q16236 Nuclear factor erythroid 2-related factor 2 Unclassified protein CHEMBL1355541 CHEMBL1738184 (1)
0 / 0
O75874 Isocitrate dehydrogenase [NADP] cytoplasmic Enzyme CHEMBL1355541 CHEMBL2354311 (1)
1 / 0
Q06710 Paired box protein Pax-8 Unclassified protein CHEMBL1355541 CHEMBL2354301 (1)
1 / 2

Related Disease

Diseases related to proteins in ChEMBL interactions

OMIM (9)

OMIM preferred title UniProt
#114500 Colorectal cancer; crc P84022
#137800 Glioma susceptibility 1; glm1 O75874
#605130 Hairy elbows, short stature, facial dysmorphism, and developmental delay Q03164
#218700 Hypothyroidism, congenital, nongoitrous, 2; chng2 Q06710
#613795 Loeys-dietz syndrome, type 3; lds3 P84022
#607948 Mycobacterium tuberculosis, susceptibility to P11473
#257220 Niemann-pick disease, type c1; npc1 O15118
#183090 Spinocerebellar ataxia 2; sca2 Q99700
#277440 Vitamin d-dependent rickets, type 2a; vddr2a P11473

KEGG DISEASE (9)

KEGG disease name UniProt
H00136 Niemann-Pick disease type C (NPC) O15118 (related)
H00342 Tuberculosis P11473 (related)
H00784 Localized autosomal recessive hypotrichosis P11473 (related)
H01143 Vitamin D-dependent rickets P11473 (related)
H00001 Acute lymphoblastic leukemia (ALL) (precursor B lymphoblastic leukemia) Q03164 (related)
Q03164 (marker)
H00002 Acute lymphoblastic leukemia (ALL) (precursor T lymphoblastic leukemia) Q03164 (related)
H00032 Thyroid cancer Q06710 (related)
H00250 Congenital nongoitrous hypothyroidism (CHNG) Q06710 (related)
H00063 Spinocerebellar ataxia (SCA) Q99700 (related)