PCIDB

KNApSAcK Metabolite C00002595

Index

Metabolite

Species

Human Protein
/ Gene in interactions

Related Diseases

Metabolite

KNApSAcK Entry

id	C00002595
Name	4'-Demethylpodophyllotoxin
CAS RN	40505-27-9
Standard InChI	InChI=1S/C21H20O8/c1-25-15-3-9(4-16(26-2)20(15)23)17-10-5-13-14(29-8-28-13)6-11(10)19(22)12-7-27-21(24)18(12)17/h3-6,12,17-19,22-23H,7-8H2,1-2H3/t12-,17+,18-,19-/m0/s1
Standard InChI (Main Layer)	InChI=1S/C21H20O8/c1-25-15-3-9(4-16(26-2)20(15)23)17-10-5-13-14(29-8-28-13)6-11(10)19(22)12-7-27-21(24)18(12)17/h3-6,12,17-19,22-23H,7-8H2,1-2H3

Cluster

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

Link

ChEMBL

By standard InChI	CHEMBL28941
By standard InChI Main Layer	CHEMBL28941 CHEMBL31929 CHEMBL290640 CHEMBL172476 CHEMBL172001 CHEMBL1514122 CHEMBL1723729

KEGG

By LinkDB	C10553

CTD

By CAS RN

Species

Summary

Plant class

class name	count
eudicotyledons	5
asterids	2
rosids	1

Family

family name	count
Berberidaceae	5
Lamiaceae	1
Asteraceae	1
Polygalaceae	1

List (8)

* NCBI

KNApSAcK organism	*ID	*family	*plant class	*kingdom
Achillea holosericea	282740	Asteraceae	asterids	Viridiplantae
Diphylleia sinensis	382113	Berberidaceae	eudicotyledons	Viridiplantae
Dysosma majorensis	153728	Berberidaceae	eudicotyledons	Viridiplantae
Hyptis verticillata	986250	Lamiaceae	asterids	Viridiplantae
Podophyllum hexandrum	93608	Berberidaceae	eudicotyledons	Viridiplantae
Podophyllum peltatum	35933	Berberidaceae	eudicotyledons	Viridiplantae
Polygala polygama	690812	Polygalaceae	rosids	Viridiplantae
Sinopodophyllum hexandrum	93608	Berberidaceae	eudicotyledons	Viridiplantae

Human Protein / Gene in interaction

6 ChEMBL Protein in interactions

accession	description	class description	compound	assay ID (# of activities)	# of diseases (OMIM / KEGG)
Q16637	Survival motor neuron protein	Unclassified protein	CHEMBL1514122	CHEMBL1613842 (1)	4 / 2
Q13526	Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1	Enzyme	CHEMBL1723729	CHEMBL1794585 (1)	0 / 0
P11388	DNA topoisomerase 2-alpha	Isomerase	CHEMBL28941 CHEMBL31929 CHEMBL290640	CHEMBL668904 (1) CHEMBL669727 (1) CHEMBL669736 (1) CHEMBL809380 (2) CHEMBL954594 (2) CHEMBL954596 (2) CHEMBL981359 (2) CHEMBL981362 (2)	0 / 0
P08684	Cytochrome P450 3A4	Cytochrome P450 3A4	CHEMBL1514122	CHEMBL1614108 (1) CHEMBL1613886 (1)	0 / 1
Q16236	Nuclear factor erythroid 2-related factor 2	Unclassified protein	CHEMBL1723729	CHEMBL1738184 (1)	0 / 0
Q02880	DNA topoisomerase 2-beta	Isomerase	CHEMBL28941 CHEMBL31929 CHEMBL290640	CHEMBL668904 (1) CHEMBL669727 (1) CHEMBL669736 (1) CHEMBL809380 (2)	0 / 0

Related Disease

Diseases related to proteins in ChEMBL interactions

OMIM (4)

OMIM	preferred title	UniProt
#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

KEGG DISEASE (2)

KEGG	disease name	UniProt
H00036	Osteosarcoma	P08684 (marker)
H00455	Spinal muscular atrophy (SMA)	Q16637 (related) Q16637 (related)