acompound

Showing entry for Dehydroabietic Acid

General Compound Information
BXGC Id	BXGC0016254
Compound Name	Dehydroabietic Acid
Structure
Formula	C20H28O2
InchiKey	NFWKVWVWBFBAOV-MISYRCLQSA-N
SMILES	OC(=O)[C@]1(C)CCC[C@]2([C@H]1CCc1c2ccc(c1)C(C)C)C
Inchi	InChI=1S/C20H28O2/c1-13(2)14-6-8-16-15(12-14)7-9-17-19(16,3)10-5-11-20(17,4)18(21)22/h6,8,12-13,17H,5,7,9-11H2,1-4H3,(H,21,22)/t17-,19-,20-/m1/s1
IUPAC	(1R,4aS,10aR)-1,4a-dimethyl-7-propan-2-yl-2,3,4,9,10,10a-hexahydrophenanthrene-1-carboxylic acid
Molecular Weight	300.21
Pubchem Id	94391
Chembl Id	CHEMBL12850

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

50143600

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	BXGT009002	Cyclin-dependent kinase 2	reviewed	Kinase	CDK2	-	36290	-	-

CHEMBL

CHEMBL12850

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
P11309	BXGT007685	Serine/threonine-protein kinase pim-1	reviewed	Kinase	PIM1	Inhibition	'='	10	%
P15056	BXGT008075	Serine/threonine-protein kinase B-raf	reviewed	Kinase	BRAF	Inhibition	'='	-7	%
P14780	BXGT008053	Matrix metalloproteinase-9	reviewed	Enzyme	MMP9	IC50	-	-	-
P48443	BXGT010631	Retinoic acid receptor RXR-gamma	reviewed	Nuclear receptor	RXRG	FC	'='	6	-
P52333	BXGT010928	Tyrosine-protein kinase JAK3	reviewed	Kinase	JAK3	IC50	'>'	100	nM
P19793	BXGT008515	Retinoic acid receptor RXR-alpha	reviewed	Nuclear receptor	RXRA	Activity	-	-	-
P48443	BXGT010631	Retinoic acid receptor RXR-gamma	reviewed	Nuclear receptor	RXRG	Activity	-	-	-
P28702	BXGT009287	Retinoic acid receptor RXR-beta	reviewed	Nuclear receptor	RXRB	Activity	-	-	-
P24941	BXGT009002	Cyclin-dependent kinase 2	reviewed	Kinase	CDK2	IC50	'='	36290	nM
P24864	BXGT009000	G1/S-specific cyclin-E1	reviewed	Enzyme modulator	CCNE1	IC50	'='	36290	nM
P31749	BXGT009574	RAC-alpha serine/threonine-protein kinase	reviewed	Kinase	AKT1	Inhibition	'='	53	%
P52333	BXGT010928	Tyrosine-protein kinase JAK3	reviewed	Kinase	JAK3	Inhibition	'='	74	%
P43403	BXGT010385	Tyrosine-protein kinase ZAP-70	reviewed	Kinase	ZAP70	Inhibition	'='	52	%
P37231	BXGT009972	Peroxisome proliferator-activated receptor gamma	reviewed	Nuclear receptor	PPARG	Activity	-	-	-
Q15046	BXGT013527	Lysine--tRNA ligase	reviewed	Enzyme	KARS1	Inhibition	'='	81	%
P48443	BXGT010631	Retinoic acid receptor RXR-gamma	reviewed	Nuclear receptor	RXRG	EC50	'='	42000	nM
Q9UM73	BXGT021773	ALK tyrosine kinase receptor	reviewed	Kinase	ALK	Inhibition	'='	17	%
Q15046	BXGT013527	Lysine--tRNA ligase	reviewed	Enzyme	KARS1	IC50	'='	27	nM
P12931	BXGT007859	Proto-oncogene tyrosine-protein kinase Src	reviewed	Kinase	SRC	Inhibition	'='	61	%
P22894	BXGT008815	Neutrophil collagenase	reviewed	Enzyme	MMP8	IC50	-	-	-
P28702	BXGT009287	Retinoic acid receptor RXR-beta	reviewed	Nuclear receptor	RXRB	EC50	'='	42000	nM
P19793	BXGT008515	Retinoic acid receptor RXR-alpha	reviewed	Nuclear receptor	RXRA	Activity	-	-	-
P19793	BXGT008515	Retinoic acid receptor RXR-alpha	reviewed	Nuclear receptor	RXRA	FC	'='	9	-
Q05655	BXGT012832	Protein kinase C delta type	reviewed	Kinase	PRKCD	Inhibition	'='	0	%
P28702	BXGT009287	Retinoic acid receptor RXR-beta	reviewed	Nuclear receptor	RXRB	FC	'='	6	-
O15530	BXGT004177	3-phosphoinositide-dependent protein kinase 1	reviewed	Kinase	PDPK1	Inhibition	'='	46	%
Q05397	BXGT012815	Focal adhesion kinase 1	reviewed	Kinase	PTK2	Inhibition	'='	67	%
P19793	BXGT008515	Retinoic acid receptor RXR-alpha	reviewed	Nuclear receptor	RXRA	EC50	'='	42000	nM
P08254	BXGT006758	Stromelysin-1	reviewed	Enzyme	MMP3	IC50	-	-	-
P49841	BXGT010750	Glycogen synthase kinase-3 beta	reviewed	Kinase	GSK3B	Inhibition	'='	20	%

Foods containing the compound

Foods

BXGF Id	Food Name	Scientific Name	Food Group
BXGF Id	Food Name	Scientific Name	Food Group
BXGF00353	Java plum	Syzygium cumini	Fruits
BXGF01222	Ocimum tenuiflorum	Ocimum tenuiflorum	Medicinal Plant
BXGF01299	Firmiana simplex	Firmiana simplex	Medicinal Plant
BXGF01374	Balanops australiana	Balanops australiana	Others
BXGF01411	Waitzia acuminata	Waitzia acuminata	Others
BXGF01757	Centaurea zuccariniana	Centaurea zuccariniana	Others
BXGF01925	Pelargonium x hortorum	Pelargonium x hortorum	Human Edible Plant
BXGF02005	Polyachyrus sphaerocephalus	Polyachyrus sphaerocephalus	Others
BXGF02176	Pseudotsuga sinensis var. wilsoniana	Pseudotsuga sinensis var. wilsoniana	Others
BXGF02383	Persea obovatifolia	Persea obovatifolia	Others
BXGF02404	Pittocaulon bombycophole	Pittocaulon bombycophole	Others
BXGF02438	Asparagus racemosus	Asparagus racemosus	Medicinal Plant
BXGF02505	Pinus sylvestris	Pinus sylvestris	Medicinal Plant
BXGF02619	Liquidambar formosana	Liquidambar formosana	Medicinal Plant
BXGF02802	Araiostegiella perdurans	Araiostegiella perdurans	Others
BXGF02896	Maprounea guianensis	Maprounea guianensis	Others
BXGF02897	Squamopappus skutchii	Squamopappus skutchii	Others
BXGF03022	Afraegle paniculata	Afraegle paniculata	Medicinal Plant
BXGF03080	Cratoxylum pruniflorum	Cratoxylum pruniflorum	Medicinal Plant
BXGF03182	Brucea antidysenterica	Brucea antidysenterica	Medicinal Plant
BXGF03206	Phagnalon atlanticum	Phagnalon atlanticum	Others
BXGF03316	Titanotrichum oldhamii	Titanotrichum oldhamii	Others
BXGF03476	Hylocomium splendens	Hylocomium splendens	Others
BXGF03620	Cassinia subtropica	Cassinia subtropica	Others
BXGF03763	Millettia laurentii	Millettia laurentii	Medicinal Plant
BXGF03765	Alcea rosea	Alcea rosea	Medicinal Plant
BXGF04292	Bowdichia virgilioides	Bowdichia virgilioides	Medicinal Plant
BXGF04349	Monodora tenuifolia	Monodora tenuifolia	Human Edible Plant
BXGF04390	Centaurea cheiranthifolia	Centaurea cheiranthifolia	Others
BXGF04407	Sideritis lanata	Sideritis lanata	Others
BXGF04433	Lamprolobium fruticosum	Lamprolobium fruticosum	Others
BXGF04444	Erythrina burttii	Erythrina burttii	Medicinal Plant
BXGF04466	Mikania grazielae	Mikania grazielae	Others
BXGF04468	Mentha pulegium	Mentha pulegium	Medicinal Plant
BXGF04497	Laggera aurita	Laggera aurita	Medicinal Plant
BXGF04501	Viola hondoensis	Viola hondoensis	Others
BXGF04509	Rubus pungens	Rubus pungens	Medicinal Plant
BXGF04535	Pinus pumila	Pinus pumila	Medicinal Plant
BXGF04544	Piper callosum	Piper callosum	Medicinal Plant
BXGF04547	Gyrothyra underwoodiana	Gyrothyra underwoodiana	Others
BXGF04552	Dianella revoluta	Dianella revoluta	Medicinal Plant
BXGF04563	Tamarix gallica	Tamarix gallica	Medicinal Plant
BXGF04577	Poterium sanguisorba	Poterium sanguisorba	Medicinal Plant
BXGF04579	Hardwickia pinnata	Hardwickia pinnata	Others
BXGF04587	Salvia dichroa	Salvia dichroa	Others
BXGF04611	Artemisia argyi	Artemisia argyi	Medicinal Plant
BXGF04617	Daphnandra johnsonii	Daphnandra johnsonii	Others
BXGF04623	Colchicum arenarium	Colchicum arenarium	Others
BXGF04630	Cladanthus arabicus	Cladanthus arabicus	Others
BXGF04635	Kokoona ochracea	Kokoona ochracea	Medicinal Plant
BXGF04675	Astragalus glycyphyllos	Astragalus glycyphyllos	Medicinal Plant
BXGF04681	Athrixia elata	Athrixia elata	Human Edible Plant
BXGF04687	Adina trichotoma	Adina trichotoma	Others
BXGF04690	Hippeastrum aulicum	Hippeastrum aulicum	Others
BXGF04797	Tinospora hainanensis	Tinospora hainanensis	Medicinal Plant
BXGF04896	Kokoona reflexa	Kokoona reflexa	Others
BXGF05083	Viguiera decurrens	Viguiera decurrens	Medicinal Plant
BXGF05095	Wrightia tinctoria	Wrightia tinctoria	Medicinal Plant
BXGF05145	Sideritis brevibracteata	Sideritis brevibracteata	Human Edible Plant
BXGF05184	Maesa ramentacea	Maesa ramentacea	Medicinal Plant
BXGF05209	Veronica anagallis	Veronica anagallis	Medicinal Plant
BXGF05242	Euphorbia cornigera	Euphorbia cornigera	Others
BXGF05346	Acacia simplicifolia	Acacia simplicifolia	Others
BXGF05368	Salvia yosgadensis	Salvia yosgadensis	Others
BXGF05428	Sideroxylon cubense	Sideroxylon cubense	Others
BXGF05449	Tetradenia glauca	Tetradenia glauca	Others
BXGF05654	Pinus strobus	Pinus strobus	Medicinal Plant
BXGF05730	Alpinia blepharocalyx	Alpinia blepharocalyx	Medicinal Plant
BXGF05764	Eucalyptus jenseni	Eucalyptus jenseni	Others
BXGF05869	Salacia lehmbachii	Salacia lehmbachii	Medicinal Plant
BXGF05923	Peritassa campestris	Peritassa campestris	Human Edible Plant
BXGF05954	Pluchea odorata	Pluchea odorata	Others
BXGF05958	Lepechinia caulescens	Lepechinia caulescens	Medicinal Plant
BXGF05970	Nauclea parva	Nauclea parva	Others
BXGF06024	Uvaria microcarpa	Uvaria microcarpa	Human Edible Plant
BXGF06033	Euonymus tingens	Euonymus tingens	Medicinal Plant
BXGF06123	Cousinia canescens	Cousinia canescens	Others
BXGF06209	Jacobaea argunensis	Jacobaea argunensis	Others
BXGF06314	Teucrium scorodonia	Teucrium scorodonia	Medicinal 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}