acompound

Showing entry for Abietic Acid

General Compound Information
BXGC Id	BXGC0041564
Compound Name	Abietic Acid
Structure
Formula	C20H30O2
InchiKey	RSWGJHLUYNHPMX-ONCXSQPRSA-N
SMILES	CC(C1=CC2=CC[C@@H]3[C@]([C@H]2CC1)(C)CCC[C@@]3(C)C(=O)O)C
Inchi	InChI=1S/C20H30O2/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/h7,12-13,16-17H,5-6,8-11H2,1-4H3,(H,21,22)/t16-,17+,19+,20+/m0/s1
IUPAC	(1R,4aR,4bR,10aR)-1,4a-dimethyl-7-propan-2-yl-2,3,4,4b,5,6,10,10a-octahydrophenanthrene-1-carboxylic acid
Molecular Weight	302.22
Pubchem Id	10569
Chembl Id	CHEMBL71893

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

A9H

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
Q06069	BXGT012854	Cytochrome P450(MEG)	reviewed	cyp106A2	-	-	-	63840	-

Binding DB

50442901

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	BXGT021151	Solute carrier organic anion transporter family member 1B3	reviewed	Transporter	SLCO1B3	-	5248	-	-
reviewed	BXGT022334	Solute carrier organic anion transporter family member 1B1	reviewed	Transporter	SLCO1B1	-	2692	-	-
reviewed	BXGT021151	Solute carrier organic anion transporter family member 1B3	reviewed	Transporter	SLCO1B3	4080	-	-	-
reviewed	BXGT022334	Solute carrier organic anion transporter family member 1B1	reviewed	Transporter	SLCO1B1	1470	-	-	-
reviewed	BXGT013541	[Pyruvate dehydrogenase (acetyl-transferring)] kinase isozyme 2, mitochondrial	reviewed	Kinase	PDK2	-	20000	-	-

CHEMBL

CHEMBL71893

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
Q15118	BXGT013540	[Pyruvate dehydrogenase (acetyl-transferring)] kinase isozyme 1, mitochondrial	reviewed	Kinase	PDK1	IC50	'='	20000	nM
Q16654	BXGT013650	[Pyruvate dehydrogenase (acetyl-transferring)] kinase isozyme 4, mitochondrial	reviewed	Kinase	PDK4	IC50	'='	20000	nM
Q15120	BXGT013542	[Pyruvate dehydrogenase (acetyl-transferring)] kinase isozyme 3, mitochondrial	reviewed	Kinase	PDK3	IC50	'='	20000	nM
Q15119	BXGT013541	[Pyruvate dehydrogenase (acetyl-transferring)] kinase isozyme 2, mitochondrial	reviewed	Kinase	PDK2	IC50	'='	20000	nM
O94925	BXGT005342	Glutaminase kidney isoform, mitochondrial	reviewed	Enzyme	GLS	Potency	-	14125	nM
Q9Y6L6	BXGT022334	Solute carrier organic anion transporter family member 1B1	reviewed	Transporter	SLCO1B1	Inhibition	'='	7	%
Q9Y6L6	BXGT022334	Solute carrier organic anion transporter family member 1B1	reviewed	Transporter	SLCO1B1	IC50	'='	2691	nM
P0C6X7	BXGT007440	Replicase polyprotein 1ab	reviewed	-	rep	Inhibition	'='	58	%
P02545	BXGT005889	Prelamin-A/C	reviewed	-	LMNA	Potency	'='	1995	nM
Q9NPD5	BXGT021151	Solute carrier organic anion transporter family member 1B3	reviewed	Transporter	SLCO1B3	Inhibition	'='	33	%
P0C6X7	BXGT007440	Replicase polyprotein 1ab	reviewed	-	rep	IC50	'='	189100	nM
P35354	BXGT009816	Prostaglandin G/H synthase 2	reviewed	Enzyme	PTGS2	Inhibition	'<'	30	%
Q9NPD5	BXGT021151	Solute carrier organic anion transporter family member 1B3	reviewed	Transporter	SLCO1B3	IC50	'='	5248	nM
P10276	BXGT007553	Retinoic acid receptor alpha	reviewed	Nuclear receptor	RARA	Activity	-	-	-
P10276	BXGT007553	Retinoic acid receptor alpha	reviewed	Nuclear receptor	RARA	Activity	-	-	-
P10826	BXGT007622	Retinoic acid receptor beta	reviewed	Nuclear receptor	RARB	Activity	-	-	-
P13631	BXGT007929	Retinoic acid receptor gamma	reviewed	Nuclear receptor	RARG	Activity	-	-	-
Q13133	BXGT013315	Oxysterols receptor LXR-alpha	reviewed	Nuclear receptor	NR1H3	Activity	-	-	-
P37231	BXGT009972	Peroxisome proliferator-activated receptor gamma	reviewed	Nuclear receptor	PPARG	Activity	-	-	-
Q9Y6L6	BXGT022334	Solute carrier organic anion transporter family member 1B1	reviewed	Transporter	SLCO1B1	Ki	'='	1470	nM
Q03181	BXGT012701	Peroxisome proliferator-activated receptor delta	reviewed	Nuclear receptor	PPARD	Activity	-	-	-
Q96KQ7	BXGT019687	Histone-lysine N-methyltransferase EHMT2	reviewed	Epigenetic regulator	EHMT2	Potency	-	19952	nM
P11473	BXGT007709	Vitamin D3 receptor	reviewed	Nuclear receptor	VDR	Potency	-	89125	nM
Q9NPD5	BXGT021151	Solute carrier organic anion transporter family member 1B3	reviewed	Transporter	SLCO1B3	Ki	'='	4080	nM

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
BXGF00514	Ostrich fern	Matteuccia struthiopteris	Vegetables
BXGF00985	Tabebuia rosea	Tabebuia rosea	Human Edible Plant
BXGF01197	Lathyrus macrorrhizus	Lathyrus macrorrhizus	Others
BXGF01299	Firmiana simplex	Firmiana simplex	Medicinal Plant
BXGF01300	Escallonia philippiana	Escallonia philippiana	Others
BXGF01375	Pinus massoniana	Pinus massoniana	Medicinal Plant
BXGF01411	Waitzia acuminata	Waitzia acuminata	Others
BXGF01482	Aglaia meridionalis	Aglaia meridionalis	Others
BXGF01607	Arcangelisia gusanlung	Arcangelisia gusanlung	Human Edible Plant
BXGF01650	Hippocratea indica	Hippocratea indica	Others
BXGF01757	Centaurea zuccariniana	Centaurea zuccariniana	Others
BXGF01925	Pelargonium x hortorum	Pelargonium x hortorum	Human Edible Plant
BXGF02005	Polyachyrus sphaerocephalus	Polyachyrus sphaerocephalus	Others
BXGF02019	Entandrophragma cylindricum	Entandrophragma cylindricum	Others
BXGF02080	Tanacetum santolina	Tanacetum santolina	Others
BXGF02354	Dunaliella acidophila	Dunaliella acidophila	Others
BXGF02379	Leptospermum scoparium	Leptospermum scoparium	Medicinal Plant
BXGF02383	Persea obovatifolia	Persea obovatifolia	Others
BXGF02404	Pittocaulon bombycophole	Pittocaulon bombycophole	Others
BXGF02414	Senecio erraticus	Senecio erraticus	Others
BXGF02434	Chamaemelum scariosum	Chamaemelum scariosum	Others
BXGF02438	Asparagus racemosus	Asparagus racemosus	Medicinal Plant
BXGF02457	Magnolia acuminata	Magnolia acuminata	Medicinal Plant
BXGF02506	Ficus maxima	Ficus maxima	Medicinal Plant
BXGF02533	Timonius kaniensis	Timonius kaniensis	Others
BXGF02534	Artemisia schmidtiana	Artemisia schmidtiana	Medicinal Plant
BXGF02559	Simmondsia chinensis	Simmondsia chinensis	Human Edible Plant
BXGF02571	Millettia racemosa	Millettia racemosa	Medicinal Plant
BXGF02619	Liquidambar formosana	Liquidambar formosana	Medicinal Plant
BXGF02645	Gleichenia glauca	Gleichenia glauca	Others
BXGF02657	Juniperus thurifera	Juniperus thurifera	Others
BXGF02704	Helipterum strictum	Helipterum strictum	Others
BXGF02741	Allium ursinum	Allium ursinum	Medicinal Plant
BXGF02755	Crotalaria lechnaultii	Crotalaria lechnaultii	Others
BXGF02769	Copaifera paupera	Copaifera paupera	Others
BXGF02777	Loropetalum chinense	Loropetalum chinense	Medicinal Plant
BXGF02798	Cleidion brevipetiolatum	Cleidion brevipetiolatum	Human Edible Plant
BXGF02834	Citrus tankan	Citrus tankan	Medicinal Plant
BXGF02844	Brickellia pendula	Brickellia pendula	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
BXGF03357	Coleus carnosus	Coleus carnosus	Medicinal Plant
BXGF03620	Cassinia subtropica	Cassinia subtropica	Others
BXGF04028	Plumbago europaea	Plumbago europaea	Medicinal Plant
BXGF04292	Bowdichia virgilioides	Bowdichia virgilioides	Medicinal 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
BXGF05095	Wrightia tinctoria	Wrightia tinctoria	Medicinal Plant
BXGF05146	Hesperocyparis nevadensis	Hesperocyparis nevadensis	Others
BXGF05209	Veronica anagallis	Veronica anagallis	Medicinal Plant
BXGF05346	Acacia simplicifolia	Acacia simplicifolia	Others
BXGF05449	Tetradenia glauca	Tetradenia glauca	Others
BXGF05530	Ophioglossum vulgatum	Ophioglossum vulgatum	Medicinal Plant
BXGF05782	Ammi majus	Ammi majus	Medicinal Plant
BXGF05970	Nauclea parva	Nauclea parva	Others
BXGF06024	Uvaria microcarpa	Uvaria microcarpa	Human Edible 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}