PCIDB

KNApSAcK Metabolite C00002318

Index

Metabolite

Species

Human Protein
/ Gene in interactions

Related Diseases

Metabolite

KNApSAcK Entry

id	C00002318
Name	Calycanthine / (+)-Calycanthine
CAS RN	595-05-1
Standard InChI	InChI=1S/C22H26N4/c1-25-13-11-22-16-8-4-5-9-17(16)23-19(25)21(22)12-14-26(2)20(22)24-18-10-6-3-7-15(18)21/h3-10,19-20,23-24H,11-14H2,1-2H3/t19-,20-,21-,22-/m1/s1
Standard InChI (Main Layer)	InChI=1S/C22H26N4/c1-25-13-11-22-16-8-4-5-9-17(16)23-19(25)21(22)12-14-26(2)20(22)24-18-10-6-3-7-15(18)21/h3-10,19-20,23-24H,11-14H2,1-2H3

Cluster

Phytochemical cluster	No. 4
KCF-S cluster	No. 1028

Link

ChEMBL

By standard InChI	CHEMBL464770
By standard InChI Main Layer	CHEMBL464770 CHEMBL1733079 CHEMBL1981354

KEGG

By LinkDB	C10573

CTD

By CAS RN	C070236

Species

Summary

Plant class

class name	count
Magnoliophyta	5
asterids	2

Family

family name	count
Calycanthaceae	5
Rubiaceae	2

List (9)

* NCBI

KNApSAcK organism	*ID	*family	*plant class	*kingdom
Calycanthus floridus	3429	Calycanthaceae	Magnoliophyta	Viridiplantae
Calycanthus floridus var. glaucus	212734	Calycanthaceae	Magnoliophyta	Viridiplantae
Calycanthus occidentails	3428	Calycanthaceae	Magnoliophyta	Viridiplantae
Calycanthus occidentalis	3430	Calycanthaceae	Magnoliophyta	Viridiplantae
Calycanthus praecox	3428	Calycanthaceae	Magnoliophyta	Viridiplantae
Idiospermun australiense
Meratia praecox
Palicourea alpina	60103	Rubiaceae	asterids	Viridiplantae
Palicourea coriacea	59595	Rubiaceae	asterids	Viridiplantae

Human Protein / Gene in interaction

9 ChEMBL Protein in interactions

accession	description	class description	compound	assay ID (# of activities)	# of diseases (OMIM / KEGG)
P10635	Cytochrome P450 2D6	Cytochrome P450 2D6	CHEMBL1733079	CHEMBL1741321 (1)	1 / 0
P11712	Cytochrome P450 2C9	Cytochrome P450 2C9	CHEMBL1733079	CHEMBL1741325 (1)	0 / 1
Q92830	Histone acetyltransferase KAT2A	Enzyme	CHEMBL1733079	CHEMBL1738606 (1)	0 / 0
O75496	Geminin	Unclassified protein	CHEMBL464770 CHEMBL1981354	CHEMBL2114780 (2)	0 / 0
P05177	Cytochrome P450 1A2	Cytochrome P450 1A2	CHEMBL1733079	CHEMBL1741322 (1)	0 / 0
P33261	Cytochrome P450 2C19	Cytochrome P450 2C19	CHEMBL1733079	CHEMBL1741323 (1)	1 / 1
P08684	Cytochrome P450 3A4	Cytochrome P450 3A4	CHEMBL1733079	CHEMBL1741324 (1)	0 / 1
Q96KQ7	Histone-lysine N-methyltransferase EHMT2	Enzyme	CHEMBL464770	CHEMBL1738442 (1)	0 / 0
O94925	Glutaminase kidney isoform, mitochondrial	Enzyme	CHEMBL464770 CHEMBL1981354	CHEMBL2114738 (2)	0 / 0

Related Disease

Diseases related to proteins in ChEMBL interactions

OMIM (2)

OMIM	preferred title	UniProt
#609535	Drug metabolism, poor, cyp2c19-related	P33261
#608902	Drug metabolism, poor, cyp2d6-related	P10635

KEGG DISEASE (3)

KEGG	disease name	UniProt
H00036	Osteosarcoma	P08684 (marker)
H01205	Coumarin resistance	P11712 (related)
H01171	Poor drug metabolism (PM)	P33261 (related)