acompound

Showing entry for Tingenone

General Compound Information
BXGC Id	BXGC0038381
Compound Name	Tingenone
Structure
Formula	C28H36O3
InchiKey	WSTYNZDAOAEEKG-GWJSGULQSA-N
SMILES	C[C@@H]1C[C@@H]2[C@@](CC1=O)(C)CC[C@]1([C@@]2(C)CC[C@@]2(C1=CC=C1C2=CC(=O)C(=C1C)O)C)C
Inchi	InChI=1S/C28H36O3/c1-16-13-23-25(3,15-21(16)30)9-11-27(5)22-8-7-18-17(2)24(31)20(29)14-19(18)26(22,4)10-12-28(23,27)6/h7-8,14,16,23,31H,9-13,15H2,1-6H3/t16-,23-,25+,26+,27-,28+/m1/s1
IUPAC	(6aS,6bS,8aS,11R,12aR,14aR)-3-hydroxy-4,6a,6b,8a,11,14a-hexamethyl-7,8,9,11,12,12a,13,14-octahydropicene-2,10-dione
Molecular Weight	420.27
Pubchem Id	101520
Chembl Id	CHEMBL432519

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

CHEMBL432519

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	'='	9900	nM
P07943	BXGT006700	Aldo-keto reductase family 1 member B1	reviewed	-	Akr1b1	IC50	'='	13000	nM
Q06124	BXGT012856	Tyrosine-protein phosphatase non-receptor type 11	reviewed	-	PTPN11	IC50	'='	61600	nM
P0C6X7	BXGT007440	Replicase polyprotein 1ab	reviewed	-	rep	Ki	'='	4000	nM

Foods containing the compound

Foods

BXGF Id	Food Name	Scientific Name	Food Group
BXGF Id	Food Name	Scientific Name	Food Group
BXGF01083	Elymus repens	Elymus repens	Medicinal Plant
BXGF01196	Elaeagnus commutata	Elaeagnus commutata	Medicinal Plant
BXGF01263	Adenopeltis colliguaya	Adenopeltis colliguaya	Others
BXGF01372	Quercus mongolica	Quercus mongolica	Medicinal Plant
BXGF01380	Cneorum pulverulentum	Cneorum pulverulentum	Medicinal Plant
BXGF01446	Perityle vaseyi	Perityle vaseyi	Others
BXGF01566	Pedicularis condensata	Pedicularis condensata	Others
BXGF01605	Palafoxia rosea	Palafoxia rosea	Others
BXGF01624	Acacia pachyphloia	Acacia pachyphloia	Others
BXGF01643	Chrozophora obliqua	Chrozophora obliqua	Medicinal Plant
BXGF01717	Senecio flavus	Senecio flavus	Medicinal Plant
BXGF01749	Salvia coulteri	Salvia coulteri	Others
BXGF01855	Porella swartziana	Porella swartziana	Others
BXGF01948	Meconopsis napaulensis	Meconopsis napaulensis	Medicinal Plant
BXGF01968	Rheum webbianum	Rheum webbianum	Medicinal Plant
BXGF01999	Mascarenhasia arborescens	Mascarenhasia arborescens	Others
BXGF02029	Eucalyptus flocktoniae	Eucalyptus flocktoniae	Others
BXGF02057	Kummerowia striata	Kummerowia striata	Medicinal Plant
BXGF02112	Thymbra spicata	Thymbra spicata	Medicinal Plant
BXGF02135	Phoebe formosana	Phoebe formosana	Others
BXGF02153	Sida cordifolia	Sida cordifolia	Medicinal Plant
BXGF02258	Millettia conraui	Millettia conraui	Medicinal Plant
BXGF02278	Centaurea seridis	Centaurea seridis	Others
BXGF02303	Centipeda cunninghami	Centipeda cunninghami	Others
BXGF02309	Flindersia brayleyana	Flindersia brayleyana	Others
BXGF02335	Satureja cuneifolia	Satureja cuneifolia	Human Edible Plant
BXGF02358	Consolida ajacis	Consolida ajacis	Medicinal Plant
BXGF02373	Chisocheton siamensis	Chisocheton siamensis	Medicinal 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
BXGF03623	Heracleum sphondylium	Heracleum sphondylium	Medicinal Plant
BXGF03666	Bituminaria bituminosa	Bituminaria bituminosa	Medicinal Plant
BXGF03821	Centaurea hololeuca	Centaurea hololeuca	Others
BXGF03982	Maytenus retusa	Maytenus retusa	Others
BXGF03985	Peperomia heyneana	Peperomia heyneana	Others
BXGF03998	Beaumontia brevituba	Beaumontia brevituba	Others
BXGF04140	Dalbergia stipulacea	Dalbergia stipulacea	Medicinal Plant
BXGF04220	Iryanthera juruensis	Iryanthera juruensis	Medicinal Plant
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
BXGF04635	Kokoona ochracea	Kokoona ochracea	Medicinal Plant
BXGF05080	Jungermannia obovata	Jungermannia obovata	Others
BXGF05394	Turraeanthus mannii	Turraeanthus mannii	Others
BXGF05430	Coleus garckeanus	Coleus garckeanus	Others
BXGF05490	Solanum sisymbriifolium	Solanum sisymbriifolium	Medicinal Plant
BXGF05519	Gerbera piloselloides	Gerbera piloselloides	Medicinal Plant
BXGF05849	Salacia chinensis	Salacia chinensis	Medicinal Plant
BXGF06098	Rohdea wattii	Rohdea wattii	Others
BXGF06285	Merremia umbellata	Merremia umbellata	Medicinal Plant
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}