acompound

Showing entry for Pristimerin

General Compound Information
BXGC Id	BXGC0022641
Compound Name	Pristimerin
Structure
Formula	C30H40O4
InchiKey	JFACETXYABVHFD-WXPPGMDDSA-N
SMILES	COC(=O)[C@]1(C)CC[C@]2([C@@H](C1)[C@]1(C)CC[C@@]3(C(=CC=C4C3=CC(=O)C(=C4C)O)[C@]1(CC2)C)C)C
Inchi	InChI=1S/C30H40O4/c1-18-19-8-9-22-28(4,20(19)16-21(31)24(18)32)13-15-30(6)23-17-27(3,25(33)34-7)11-10-26(23,2)12-14-29(22,30)5/h8-9,16,23,32H,10-15,17H2,1-7H3/t23-,26-,27-,28+,29-,30+/m1/s1
IUPAC	methyl (2R,4aS,6aR,6aS,14aS,14bR)-10-hydroxy-2,4a,6a,6a,9,14a-hexamethyl-11-oxo-1,3,4,5,6,13,14,14b-octahydropicene-2-carboxylate
Molecular Weight	464.29
Pubchem Id	159516
Chembl Id	CHEMBL54804

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

CHEMBL54804

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
P0C6X7	BXGT007440	Replicase polyprotein 1ab	reviewed	-	rep	IC50	'='	5500	nM
Q9NPD5	BXGT021151	Solute carrier organic anion transporter family member 1B3	reviewed	Transporter	SLCO1B3	Inhibition	'='	99	%
P0C6X7	BXGT007440	Replicase polyprotein 1ab	reviewed	-	rep	Ki	'='	3100	nM
Q9Y6L6	BXGT022334	Solute carrier organic anion transporter family member 1B1	reviewed	Transporter	SLCO1B1	Inhibition	'='	112	%

Foods containing the compound

Foods

BXGF Id	Food Name	Scientific Name	Food Group
BXGF Id	Food Name	Scientific Name	Food Group
BXGF00887	Citrus hybr	Citrus hybr	Others
BXGF01083	Elymus repens	Elymus repens	Medicinal Plant
BXGF01624	Acacia pachyphloia	Acacia pachyphloia	Others
BXGF01648	Iris pallida	Iris pallida	Medicinal Plant
BXGF02079	Pyrus x bretschneideri	Pyrus x bretschneideri	Others
BXGF02117	Solidago chinensis	Solidago chinensis	Others
BXGF02303	Centipeda cunninghami	Centipeda cunninghami	Others
BXGF02373	Chisocheton siamensis	Chisocheton siamensis	Medicinal Plant
BXGF02922	Stemona tuberosa	Stemona tuberosa	Human Edible Plant
BXGF02924	Lavandula dentata	Lavandula dentata	Medicinal Plant
BXGF03078	Chrysanthemum x morifolium	Chrysanthemum x morifolium	Medicinal Plant
BXGF03245	Pyrus ussuriensis	Pyrus ussuriensis	Medicinal Plant
BXGF03370	Maytenus aquifolium	Maytenus aquifolium	Others
BXGF03411	Valeriana wolgensis	Valeriana wolgensis	Others
BXGF03459	Cyanostegia microphylla	Cyanostegia microphylla	Others
BXGF03473	Maytenus cuzcoina	Maytenus cuzcoina	Others
BXGF03484	Ranunculus sceleratus	Ranunculus sceleratus	Medicinal Plant
BXGF03548	Euphorbia leuconeura	Euphorbia leuconeura	Others
BXGF03590	Achillea micrantha	Achillea micrantha	Others
BXGF03821	Centaurea hololeuca	Centaurea hololeuca	Others
BXGF03844	Plazia daphnoides	Plazia daphnoides	Others
BXGF03968	Euphorbia cheiradenia	Euphorbia cheiradenia	Others
BXGF03982	Maytenus retusa	Maytenus retusa	Others
BXGF03985	Peperomia heyneana	Peperomia heyneana	Others
BXGF03998	Beaumontia brevituba	Beaumontia brevituba	Others
BXGF04220	Iryanthera juruensis	Iryanthera juruensis	Medicinal Plant
BXGF04234	Maytenus apurimacensis	Maytenus apurimacensis	Others
BXGF04267	Astragalus pamirensis	Astragalus pamirensis	Others
BXGF04327	Echinochloa crus-galli	Echinochloa crus-galli	Medicinal Plant
BXGF04375	Coleus coerulescens	Coleus coerulescens	Others
BXGF04417	Mandragora officinarum	Mandragora officinarum	Medicinal Plant
BXGF04449	Berberis lambertii	Berberis lambertii	Others
BXGF04461	Thunbergia grandiflora	Thunbergia grandiflora	Medicinal Plant
BXGF04465	Zanthoxylum syncarpum	Zanthoxylum syncarpum	Others
BXGF04981	Bupleurum falcatum	Bupleurum falcatum	Medicinal Plant
BXGF05117	Crucianella maritima	Crucianella maritima	Others
BXGF05120	Rheum maximowiczii	Rheum maximowiczii	Medicinal Plant
BXGF05264	Magnolia officinalis	Magnolia officinalis	Medicinal Plant
BXGF05558	Bidens cernua	Bidens cernua	Others
BXGF05585	Pentzia calva	Pentzia calva	Others
BXGF05604	Tetracera asiatica	Tetracera asiatica	Others
BXGF05963	Kadsura heteroclita	Kadsura heteroclita	Medicinal Plant
BXGF06018	Symphonia globulifera	Symphonia globulifera	Medicinal Plant
BXGF06098	Rohdea wattii	Rohdea wattii	Others
BXGF06305	Isocoma pluriflora	Isocoma pluriflora	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}