PCIDB

KNApSAcK Metabolite C00002343

Index

Metabolite

Species

Human Protein
/ Gene in interactions

Related Diseases

Metabolite

KNApSAcK Entry

id	C00002343
Name	Himbacine
CAS RN	6879-74-9
Standard InChI	InChI=1S/C22H35NO2/c1-14-7-6-9-17(23(14)3)11-12-19-18-10-5-4-8-16(18)13-20-21(19)15(2)25-22(20)24/h11-12,14-21H,4-10,13H2,1-3H3/b12-11+/t14-,15+,16-,17+,18+,19-,20+,21-/m1/s1
Standard InChI (Main Layer)	InChI=1S/C22H35NO2/c1-14-7-6-9-17(23(14)3)11-12-19-18-10-5-4-8-16(18)13-20-21(19)15(2)25-22(20)24/h11-12,14-21H,4-10,13H2,1-3H3

Cluster

Phytochemical cluster
KCF-S cluster	No. 8163

Link

ChEMBL

By standard InChI	CHEMBL318849
By standard InChI Main Layer	CHEMBL277642 CHEMBL58824 CHEMBL301670 CHEMBL57485 CHEMBL56275 CHEMBL55698 CHEMBL97765 CHEMBL99618 CHEMBL318849 CHEMBL433566 CHEMBL1993504

KEGG

By LinkDB	C10598

CTD

By CAS RN	C048172

Species

Summary

Plant class

class name	count
Magnoliophyta	2

Family

family name	count
Himantandraceae	2

List (2)

* NCBI

KNApSAcK organism	*ID	*family	*plant class	*kingdom
Himantandra baccata	22300	Himantandraceae	Magnoliophyta	Viridiplantae
Himantandra belgraveana	22300	Himantandraceae	Magnoliophyta	Viridiplantae

Human Protein / Gene in interaction

6 ChEMBL Protein in interactions

accession	description	class description	compound	assay ID (# of activities)	# of diseases (OMIM / KEGG)
P08912	Muscarinic acetylcholine receptor M5	Acetylcholine receptor	CHEMBL277642	CHEMBL748269 (1) CHEMBL748448 (1) CHEMBL1629153 (1)	0 / 0
P08172	Muscarinic acetylcholine receptor M2	Acetylcholine receptor	CHEMBL277642 CHEMBL58824 CHEMBL301670 CHEMBL57485 CHEMBL56275 CHEMBL55698 CHEMBL433566	CHEMBL747774 (1) CHEMBL746303 (7) CHEMBL857563 (1) CHEMBL752969 (1) CHEMBL849568 (1) CHEMBL875217 (2) CHEMBL1629265 (1)	2 / 0
P11229	Muscarinic acetylcholine receptor M1	Acetylcholine receptor	CHEMBL277642 CHEMBL58824 CHEMBL301670 CHEMBL57485 CHEMBL56275 CHEMBL55698 CHEMBL433566	CHEMBL746257 (1) CHEMBL748282 (1) CHEMBL746302 (7) CHEMBL745740 (1) CHEMBL745741 (1) CHEMBL745743 (1) CHEMBL788970 (1) CHEMBL849568 (1) CHEMBL839522 (2) CHEMBL1629290 (1)	0 / 0
P20309	Muscarinic acetylcholine receptor M3	Acetylcholine receptor	CHEMBL277642 CHEMBL58824 CHEMBL301670 CHEMBL57485 CHEMBL56275 CHEMBL55698	CHEMBL752409 (1) CHEMBL745650 (1) CHEMBL746304 (7) CHEMBL788970 (1) CHEMBL1629396 (1)	1 / 0
P06276	Cholinesterase	Hydrolase	CHEMBL277642	CHEMBL2166019 (1)	0 / 0
P08173	Muscarinic acetylcholine receptor M4	Acetylcholine receptor	CHEMBL277642 CHEMBL58824 CHEMBL301670 CHEMBL57485 CHEMBL56275 CHEMBL55698	CHEMBL746455 (1) CHEMBL749766 (1) CHEMBL746305 (7) CHEMBL1629228 (1)	0 / 0

Related Disease

Diseases related to proteins in ChEMBL interactions

OMIM (3)

OMIM	preferred title	UniProt
#100100	Abdominal muscles, absence of, with urinary tract abnormality and cryptorchidism	P20309
#103780	Alcohol dependence	P08172
#608516	Major depressive disorder; mdd	P08172

Diseases related to CTD interactions

1 disease from interactions of metabolites

MeSH disease	OMIM	compound	disease name	evidence type	reference pmid
D009216		C048172	Myopia	therapeutic	12601066