PCIDB

KNApSAcK Metabolite C00024515

Index

Metabolite

Species

Human Protein
/ Gene in interactions

Related Diseases

Metabolite

KNApSAcK Entry

id	C00024515
Name	Aspidocarpine
CAS RN	466-45-5
Standard InChI	InChI=1S/C22H30N2O3/c1-4-21-9-5-12-23-13-11-22(20(21)23)15-6-7-16(27-3)19(26)18(15)24(14(2)25)17(22)8-10-21/h6-7,17,20,26H,4-5,8-13H2,1-3H3/t17-,20-,21-,22-/m1/s1
Standard InChI (Main Layer)	InChI=1S/C22H30N2O3/c1-4-21-9-5-12-23-13-11-22(20(21)23)15-6-7-16(27-3)19(26)18(15)24(14(2)25)17(22)8-10-21/h6-7,17,20,26H,4-5,8-13H2,1-3H3

Cluster

Phytochemical cluster	No. 4
KCF-S cluster	No. 430

Link

ChEMBL

By standard InChI	CHEMBL1173074
By standard InChI Main Layer	CHEMBL1173074 CHEMBL1317059 CHEMBL1338579

KEGG

By LinkDB

CTD

By CAS RN

Species

Summary

Plant class

class name	count
asterids	3

Family

family name	count
Apocynaceae	3

List (3)

* NCBI

KNApSAcK organism	*ID	*family	*plant class	*kingdom
Aspidosperma marcgravianum	597276	Apocynaceae	asterids	Viridiplantae
Aspidosperma megalocarpon Muell.Arg.	84859	Apocynaceae	asterids	Viridiplantae
Geissospermum argenteum	141564	Apocynaceae	asterids	Viridiplantae

Human Protein / Gene in interaction

5 ChEMBL Protein in interactions

accession	description	class description	compound	assay ID (# of activities)	# of diseases (OMIM / KEGG)
P10635	Cytochrome P450 2D6	Cytochrome P450 2D6	CHEMBL1338579	CHEMBL1614110 (1)	1 / 0
P33261	Cytochrome P450 2C19	Cytochrome P450 2C19	CHEMBL1338579	CHEMBL1613777 (1)	1 / 1
P08684	Cytochrome P450 3A4	Cytochrome P450 3A4	CHEMBL1317059	CHEMBL1614108 (1) CHEMBL1613886 (1)	0 / 1
O00255	Menin	Unclassified protein	CHEMBL1317059	CHEMBL1614531 (1)	2 / 5
Q03164	Histone-lysine N-methyltransferase 2A	Enzyme	CHEMBL1317059	CHEMBL1614531 (1)	1 / 3

Related Disease

Diseases related to proteins in ChEMBL interactions

OMIM (5)

OMIM	preferred title	UniProt
#609535	Drug metabolism, poor, cyp2c19-related	P33261
#608902	Drug metabolism, poor, cyp2d6-related	P10635
#605130	Hairy elbows, short stature, facial dysmorphism, and developmental delay	Q03164
#145000	Hyperparathyroidism 1; hrpt1	O00255
#131100	Multiple endocrine neoplasia, type i; men1	O00255

KEGG DISEASE (9)

KEGG	disease name	UniProt
H00033	Adrenal carcinoma	O00255 (related)
H00034	Carcinoid	O00255 (related)
H00045	Malignant islet cell carcinoma	O00255 (related)
H00246	Primary hyperparathyroidism	O00255 (related)
H01102	Pituitary adenomas	O00255 (related)
H00036	Osteosarcoma	P08684 (marker)
H01171	Poor drug metabolism (PM)	P33261 (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)