acompound

Showing entry for (+)-Axillaridine A

　　　　　　　　　　　　　　　

General Compound Information
BXGC Id	BXGC0019621
Compound Name	(+)-Axillaridine A
Structure
Formula	C30H42N2O2
InchiKey	ZMAOKPMWBVUQPK-IWDJEAQTSA-N
SMILES	CN([C@H]([C@H]1CC[C@@H]2[C@]1(C)CC[C@H]1[C@H]2CC[C@@H]2[C@]1(C)CC=C(C2=O)N=C(c1ccccc1)O)C)C
Inchi	InChI=1S/C30H42N2O2/c1-19(32(4)5)22-13-14-23-21-11-12-25-27(33)26(31-28(34)20-9-7-6-8-10-20)16-18-30(25,3)24(21)15-17-29(22,23)2/h6-10,16,19,21-25H,11-15,17-18H2,1-5H3,(H,31,34)/t19-,21-,22+,23-,24-,25-,29+,30+/m0/s1
IUPAC	N-[(5R,8S,9S,10R,13S,14S,17S)-17-[(1S)-1-(dimethylamino)ethyl]-10,13-dimethyl-4-oxo-1,5,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-yl]benzamide
Molecular Weight	462.32
Pubchem Id	3004425
Chembl Id	CHEMBL335133

Targets of Information Source

DrugBank

n.a

Uniport Id	BXGT Id	Protein Name	Status	Protein Class	Gene	Groups	Target Type
Uniport Id	BXGT Id	Protein Name	Status	Protein Class	Gene	Groups	Target Type

PDB

n.a

Uniport Id	BXGT Id	Protein Name	Status	Protein Class	Gene	Ki nM	ic50 nM	Kd nM	Ka M-1
Uniport Id	BXGT Id	Protein Name	Status	Protein Class	Gene	Ki nM	ic50 nM	Kd nM	Ka M-1

Binding DB

Uniport Id	BXGT Id	Protein Name	Status	Protein Class	Gene	Ki nM	ic50 nM	Kd nM	EC50 nM
Uniport Id	BXGT Id	Protein Name	Status	Protein Class	Gene	Ki nM	ic50 nM	Kd nM	EC50 nM
reviewed	BXGT006139	Acetylcholinesterase	reviewed		ache	-	5200	-	-
reviewed	BXGT006430	Cholinesterase	reviewed		BCHE	2150	-	-	-
reviewed	BXGT006139	Acetylcholinesterase	reviewed		ache	3030	-	-	-
reviewed	BXGT006430	Cholinesterase	reviewed		BCHE	-	2490	-	-
reviewed	BXGT021657	7-dehydrocholesterol reductase	reviewed	Enzyme	DHCR7	-	8000	-	-
reviewed	BXGT008751	Acetylcholinesterase	reviewed	Enzyme	ACHE	-	5248	-	-

CHEMBL

Uniport Id	BXGT Id	Protein Name	Status	Protein Class	Gene	width="10%">Type	Relation	value	Units
Uniport Id	BXGT Id	Protein Name	Status	Protein Class	Gene	Type	Relation	value	Units
P06276	BXGT006430	Cholinesterase	reviewed	-	BCHE	IC50	'='	2490	nM
P04058	BXGT006139	Acetylcholinesterase	reviewed	-	ache	IC50	'='	5200	nM
P04058	BXGT006139	Acetylcholinesterase	reviewed	-	ache	Ki	'='	3030	nM
P22303	BXGT008751	Acetylcholinesterase	reviewed	Enzyme	ACHE	IC50	'='	5248	nM
P06276	BXGT006430	Cholinesterase	reviewed	-	BCHE	Ki	'='	2150	nM
Q9UBM7	BXGT021657	7-dehydrocholesterol reductase	reviewed	Enzyme	DHCR7	IC50	'='	8000	nM
Q15125	BXGT013543	3-beta-hydroxysteroid-Delta(8),Delta(7)-isomerase	reviewed	Enzyme	EBP	IC50	'='	8000	nM

Foods containing the compound

Foods

BXGF Id	Food Name	Scientific Name	Food Group
BXGF Id	Food Name	Scientific Name	Food Group
BXGF04179	Arisaema curvatum	Arisaema curvatum	Human Edible Plant
BXGF04506	Sarcococca saligna	Sarcococca saligna	Medicinal Plant
BXGF05377	Pachysandra procumbens	Pachysandra procumbens	Human Edible Plant

The compound-realted diseases

Diseases

BXGD Id	Disease Name	CUI Disease Id	Disease Class Name	Number of targets^{?Number of targets related to compound connecting disease, higher numbers indicate the compound is more associated with the disease}