acompound

Showing entry for panaxatriol

　　　　　　　　　　　　　　　

General Compound Information
BXGC Id	BXGC0020220
Compound Name	panaxatriol
Structure
Formula	C30H52O4
InchiKey	QFJUYMMIBFBOJY-XBDFBJNCSA-N
SMILES	O[C@H]1C[C@]2(C)[C@@H]([C@@]3([C@@H]1C(C)(C)[C@@H](O)CC3)C)C[C@H]([C@H]1[C@@]2(C)CC[C@@H]1[C@@]1(C)CCCC(O1)(C)C)O
Inchi	InChI=1S/C30H52O4/c1-25(2)12-9-13-30(8,34-25)18-10-15-28(6)23(18)19(31)16-21-27(5)14-11-22(33)26(3,4)24(27)20(32)17-29(21,28)7/h18-24,31-33H,9-17H2,1-8H3/t18-,19+,20-,21+,22-,23-,24-,27+,28+,29+,30+/m0/s1
IUPAC	(3S,5R,6S,8R,9R,10R,12R,13R,14R,17S)-4,4,8,10,14-pentamethyl-17-[(2R)-2,6,6-trimethyloxan-2-yl]-2,3,5,6,7,9,11,12,13,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene-3,6,12-triol
Molecular Weight	476.39
Pubchem Id	12313935
Chembl Id	CHEMBL487293

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

n.a

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

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
O42275	BXGT004559	Acetylcholinesterase	reviewed	-	ache	Inhibition	'='	6	%
Q9YQ12	BXGT022394	Protease	unreviewed	-	protease	IC50	'>'	209900	nM
P81908	BXGT011959	Cholinesterase	reviewed	-	BCHE	Inhibition	'='	8	%
P54710	BXGT011070	Sodium/potassium-transporting ATPase subunit gamma	reviewed	Transporter	FXYD2	IC50	'='	1090	nM
Q13733	BXGT013394	Sodium/potassium-transporting ATPase subunit alpha-4	reviewed	Transporter	ATP1A4	IC50	'='	1090	nM
P13637	BXGT007933	Sodium/potassium-transporting ATPase subunit alpha-3	reviewed	Transporter	ATP1A3	IC50	'='	1090	nM
P54709	BXGT011069	Sodium/potassium-transporting ATPase subunit beta-3	reviewed	Transporter	ATP1B3	IC50	'='	1090	nM
P50993	BXGT010826	Sodium/potassium-transporting ATPase subunit alpha-2	reviewed	Transporter	ATP1A2	IC50	'='	1090	nM
P05026	BXGT006296	Sodium/potassium-transporting ATPase subunit beta-1	reviewed	Transporter	ATP1B1	IC50	'='	1090	nM
P14415	BXGT008010	Sodium/potassium-transporting ATPase subunit beta-2	reviewed	Transporter	ATP1B2	IC50	'='	1090	nM
P05023	BXGT006294	Sodium/potassium-transporting ATPase subunit alpha-1	reviewed	Transporter	ATP1A1	IC50	'='	1090	nM

Foods containing the compound

Foods

BXGF Id	Food Name	Scientific Name	Food Group
BXGF Id	Food Name	Scientific Name	Food Group
BXGF00956	Passiflora incarnata	Passiflora incarnata	Medicinal Plant
BXGF01157	Alstonia muelleriana	Alstonia muelleriana	Others
BXGF01205	Dacrydium cupressinum	Dacrydium cupressinum	Medicinal Plant
BXGF01448	Trigonella grandiflora	Trigonella grandiflora	Others
BXGF01554	Nicotiana undulata	Nicotiana undulata	Others
BXGF01821	Artemisia cina	Artemisia cina	Medicinal Plant
BXGF02757	Tripolium pannonicum	Tripolium pannonicum	Others
BXGF02925	Coreopsis nodosa	Coreopsis nodosa	Others
BXGF03180	Uvaria calamistrata	Uvaria calamistrata	Medicinal Plant
BXGF03348	Panax notoginseng	Panax notoginseng	Medicinal Plant
BXGF03508	Haematococcus lacustris	Haematococcus lacustris	Others
BXGF04820	Panax ginseng	Panax ginseng	0
BXGF05413	Glycine tomentella	Glycine tomentella	Human Edible Plant
BXGF05817	Panax schinseng	Panax schinseng	Others
BXGF05944	Senecio paludaffinis	Senecio paludaffinis	Others

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}