PCIDB

KNApSAcK Metabolite C00002594

Metabolite

KNApSAcK Entry

id C00002594
Name 4'-Demethyldeoxypodophyllotoxin
CAS RN 3590-93-0
Standard InChI InChI=1S/C21H20O7/c1-24-16-5-11(6-17(25-2)20(16)22)18-13-7-15-14(27-9-28-15)4-10(13)3-12-8-26-21(23)19(12)18/h4-7,12,18-19,22H,3,8-9H2,1-2H3/t12-,18+,19-/m0/s1
Standard InChI (Main Layer) InChI=1S/C21H20O7/c1-24-16-5-11(6-17(25-2)20(16)22)18-13-7-15-14(27-9-28-15)4-10(13)3-12-8-26-21(23)19(12)18/h4-7,12,18-19,22H,3,8-9H2,1-2H3

Cluster

Phytochemical cluster No. 21
KCF-S cluster No. 427

Link

ChEMBL

By standard InChI CHEMBL89905
By standard InChI Main Layer CHEMBL89905 CHEMBL141117 CHEMBL1707682 CHEMBL1969951

KEGG

By LinkDB C10552

CTD

By CAS RN

Human Protein / Gene in interaction

27 ChEMBL Protein in interactions

accession description class description compound assay ID (# of activities) # of diseases
(OMIM / KEGG)
P49798 Regulator of G-protein signaling 4 Unclassified protein CHEMBL1707682 CHEMBL1794499 (1)
2 / 0
P84022 Mothers against decapentaplegic homolog 3 Unclassified protein CHEMBL1707682 CHEMBL1794584 (1)
2 / 0
O75496 Geminin Unclassified protein CHEMBL1707682 CHEMBL2114843 (1) CHEMBL2114780 (1)
0 / 0
P43220 Glucagon-like peptide 1 receptor Glucagon-like peptide receptor CHEMBL1707682 CHEMBL2114788 (1)
0 / 0
Q9Y253 DNA polymerase eta Enzyme CHEMBL1707682 CHEMBL1794569 (1)
1 / 1
Q9UNA4 DNA polymerase iota Enzyme CHEMBL1707682 CHEMBL1794483 (1)
0 / 0
O75164 Lysine-specific demethylase 4A Enzyme CHEMBL1707682 CHEMBL1737991 (1)
0 / 0
Q16236 Nuclear factor erythroid 2-related factor 2 Unclassified protein CHEMBL89905 CHEMBL1738184 (1)
0 / 0
O75874 Isocitrate dehydrogenase [NADP] cytoplasmic Enzyme CHEMBL1707682 CHEMBL2354311 (1)
1 / 0
P11388 DNA topoisomerase 2-alpha Isomerase CHEMBL141117 CHEMBL664231 (1)
0 / 0
Q02880 DNA topoisomerase 2-beta Isomerase CHEMBL141117 CHEMBL664231 (1)
0 / 0
Q13748 Tubulin alpha-3C/D chain Structural CHEMBL89905 CHEMBL815107 (1)
0 / 0
P68366 Tubulin alpha-4A chain Structural CHEMBL89905 CHEMBL815107 (1)
0 / 0
Q9H4B7 Tubulin beta-1 chain Structural CHEMBL89905 CHEMBL815107 (1)
1 / 0
P04350 Tubulin beta-4A chain Structural CHEMBL89905 CHEMBL815107 (1)
2 / 0
Q3ZCM7 Tubulin beta-8 chain Structural CHEMBL89905 CHEMBL815107 (1)
0 / 0
P07437 Tubulin beta chain Structural CHEMBL89905 CHEMBL815107 (1)
0 / 0
Q71U36 Tubulin alpha-1A chain Structural CHEMBL89905 CHEMBL815107 (1)
1 / 1
P68371 Tubulin beta-4B chain Structural CHEMBL89905 CHEMBL815107 (1)
0 / 0
Q13509 Tubulin beta-3 chain Structural CHEMBL89905 CHEMBL815107 (1)
2 / 1
Q14191 Werner syndrome ATP-dependent helicase Enzyme CHEMBL1707682 CHEMBL2114796 (1)
2 / 1
P68363 Tubulin alpha-1B chain Unclassified protein CHEMBL89905 CHEMBL815107 (1)
0 / 0
Q13885 Tubulin beta-2A chain Structural CHEMBL89905 CHEMBL815107 (1)
0 / 0
Q6PEY2 Tubulin alpha-3E chain Unclassified protein CHEMBL89905 CHEMBL815107 (1)
0 / 0
Q9BQE3 Tubulin alpha-1C chain Unclassified protein CHEMBL89905 CHEMBL815107 (1)
0 / 0
Q9BUF5 Tubulin beta-6 chain Structural CHEMBL89905 CHEMBL815107 (1)
0 / 0
Q9BVA1 Tubulin beta-2B chain Structural CHEMBL89905 CHEMBL815107 (1)
1 / 0

Related Disease

Diseases related to proteins in ChEMBL interactions

OMIM (14)

OMIM preferred title UniProt
#114500 Colorectal cancer; crc P84022
Q14191
#614039 Cortical dysplasia, complex, with other brain malformations 1; cdcbm1 Q13509
#128101 Dystonia 4, torsion, autosomal dominant; dyt4 P04350
#600638 Fibrosis of extraocular muscles, congenital, 3a, with or without extraocular involvement; cfeom3a Q13509
#137800 Glioma susceptibility 1; glm1 O75874
#612438 Leukodystrophy, hypomyelinating, 6; hld6 P04350
#611603 Lissencephaly 3; lis3 Q71U36
#613795 Loeys-dietz syndrome, type 3; lds3 P84022
#613112 Macrothrombocytopenia, autosomal dominant, tubb1-related Q9H4B7
#610031 Polymicrogyria, symmetric or asymmetric; pmgysa Q9BVA1
#604906 Schizophrenia 9; sczd9 P49798
#181500 Schizophrenia; sczd P49798
#277700 Werner syndrome; wrn Q14191
#278750 Xeroderma pigmentosum, variant type; xpv Q9Y253

KEGG DISEASE (4)

KEGG disease name UniProt
H00838 Congenital fibrosis of the extraocular muscles (CFEOM) Q13509 (related)
H00296 Defects in RecQ helicases Q14191 (related)
H00268 Lissencephaly (LIS) Q71U36 (related)
H00403 Disorders of nucleotide excision repair Q9Y253 (related)