acompound

Showing entry for isopimaric acid

General Compound Information
BXGC Id	BXGC0037354
Compound Name	isopimaric acid
Structure
Formula	C20H30O2
InchiKey	MXYATHGRPJZBNA-KRFUXDQASA-N
SMILES	C=C[C@@]1(C)CC[C@H]2C(=CC[C@@H]3[C@]2(C)CCC[C@@]3(C)C(=O)O)C1
Inchi	InChI=1S/C20H30O2/c1-5-18(2)12-9-15-14(13-18)7-8-16-19(15,3)10-6-11-20(16,4)17(21)22/h5,7,15-16H,1,6,8-13H2,2-4H3,(H,21,22)/t15-,16+,18-,19+,20+/m0/s1
IUPAC	(1R,4aR,4bS,7S,10aR)-7-ethenyl-1,4a,7-trimethyl-3,4,4b,5,6,8,10,10a-octahydro-2H-phenanthrene-1-carboxylic acid
Molecular Weight	302.22
Pubchem Id	442048
Chembl Id	CHEMBL512164

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

CHEMBL512164

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	'='	283500	nM
P0C6X7	BXGT007440	Replicase polyprotein 1ab	reviewed	-	rep	Inhibition	'='	28	%
Q92830	BXGT019379	Histone acetyltransferase KAT2A	reviewed	-	KAT2A	Potency	-	39810	nM
P00860	BXGT005675	Ornithine decarboxylase	reviewed	-	Odc1	Activity	'='	0	uM
P47870	BXGT010591	Gamma-aminobutyric acid receptor subunit beta-2	reviewed	Ion channel	GABRB2	Activity	-	-	-
P14867	BXGT008061	Gamma-aminobutyric acid receptor subunit alpha-1	reviewed	Ion channel	GABRA1	Activity	-	-	-
P19793	BXGT008515	Retinoic acid receptor RXR-alpha	reviewed	Nuclear receptor	RXRA	Activity	-	-	-
P28702	BXGT009287	Retinoic acid receptor RXR-beta	reviewed	Nuclear receptor	RXRB	FC	'='	7	-
P19793	BXGT008515	Retinoic acid receptor RXR-alpha	reviewed	Nuclear receptor	RXRA	EC50	'='	26000	nM
P48443	BXGT010631	Retinoic acid receptor RXR-gamma	reviewed	Nuclear receptor	RXRG	EC50	'='	33000	nM
P48443	BXGT010631	Retinoic acid receptor RXR-gamma	reviewed	Nuclear receptor	RXRG	FC	'='	7	-
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	-	-	-
P28702	BXGT009287	Retinoic acid receptor RXR-beta	reviewed	Nuclear receptor	RXRB	EC50	'='	32000	nM
P19793	BXGT008515	Retinoic acid receptor RXR-alpha	reviewed	Nuclear receptor	RXRA	FC	'='	13	-

Foods containing the compound

Foods

BXGF Id	Food Name	Scientific Name	Food Group
BXGF Id	Food Name	Scientific Name	Food Group
BXGF00514	Ostrich fern	Matteuccia struthiopteris	Vegetables
BXGF00966	Tristania conferta	Tristania conferta	Others
BXGF00972	Plectranthus myrianthus	Plectranthus myrianthus	Others
BXGF00985	Tabebuia rosea	Tabebuia rosea	Human Edible Plant
BXGF01024	Pentaclethra macrophylla	Pentaclethra macrophylla	Medicinal Plant
BXGF01085	Veronica polita	Veronica polita	Medicinal Plant
BXGF01183	Glycosmis macrophylla	Glycosmis macrophylla	Others
BXGF01197	Lathyrus macrorrhizus	Lathyrus macrorrhizus	Others
BXGF01253	Stephania zippeliana	Stephania zippeliana	Others
BXGF01299	Firmiana simplex	Firmiana simplex	Medicinal Plant
BXGF01300	Escallonia philippiana	Escallonia philippiana	Others
BXGF01329	Eucalyptus apodophylla	Eucalyptus apodophylla	Medicinal Plant
BXGF01411	Waitzia acuminata	Waitzia acuminata	Others
BXGF01416	Hypericum polyanthemum	Hypericum polyanthemum	Others
BXGF01418	Distephanus angulifolius	Distephanus angulifolius	Others
BXGF01460	Dracaena cochinchinensis	Dracaena cochinchinensis	Medicinal Plant
BXGF01480	Periploca sepium	Periploca sepium	Medicinal Plant
BXGF01482	Aglaia meridionalis	Aglaia meridionalis	Others
BXGF01548	Campylotropis hirtella	Campylotropis hirtella	Medicinal Plant
BXGF01607	Arcangelisia gusanlung	Arcangelisia gusanlung	Human Edible Plant
BXGF01650	Hippocratea indica	Hippocratea indica	Others
BXGF01757	Centaurea zuccariniana	Centaurea zuccariniana	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
BXGF02414	Senecio erraticus	Senecio erraticus	Others
BXGF02434	Chamaemelum scariosum	Chamaemelum scariosum	Others
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
BXGF02633	Breonia chinensis	Breonia chinensis	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
BXGF02798	Cleidion brevipetiolatum	Cleidion brevipetiolatum	Human Edible Plant
BXGF02834	Citrus tankan	Citrus tankan	Medicinal Plant
BXGF02844	Brickellia pendula	Brickellia pendula	Others
BXGF03006	Styrax	Styrax	Medicinal Plant
BXGF03316	Titanotrichum oldhamii	Titanotrichum oldhamii	Others
BXGF03357	Coleus carnosus	Coleus carnosus	Medicinal Plant
BXGF03518	Mentha cardiaca	Mentha cardiaca	Others
BXGF03637	Rhodiola semenovii	Rhodiola semenovii	Others
BXGF03814	Juniperus rigida var. conferta	Juniperus rigida var. conferta	Medicinal Plant
BXGF04028	Plumbago europaea	Plumbago europaea	Medicinal Plant
BXGF04292	Bowdichia virgilioides	Bowdichia virgilioides	Medicinal Plant
BXGF04602	Platycladus orientalis	Platycladus orientalis	Medicinal Plant
BXGF04664	Torreya nucifera	Torreya nucifera	Medicinal Plant
BXGF04797	Tinospora hainanensis	Tinospora hainanensis	Medicinal Plant
BXGF05095	Wrightia tinctoria	Wrightia tinctoria	Medicinal Plant
BXGF05146	Hesperocyparis nevadensis	Hesperocyparis nevadensis	Others
BXGF05170	Crotalaria candicans	Crotalaria candicans	Others
BXGF05209	Veronica anagallis	Veronica anagallis	Medicinal Plant
BXGF05346	Acacia simplicifolia	Acacia simplicifolia	Others
BXGF05385	Eria japonica	Eria japonica	Others
BXGF05427	Salvia sessei	Salvia sessei	Others
BXGF05449	Tetradenia glauca	Tetradenia glauca	Others
BXGF05466	Juniperus drupacea	Juniperus drupacea	Medicinal Plant
BXGF05530	Ophioglossum vulgatum	Ophioglossum vulgatum	Medicinal Plant
BXGF05615	Ceropegia dichotoma	Ceropegia dichotoma	Garden Plant
BXGF05708	Ononis spinosa	Ononis spinosa	Medicinal Plant
BXGF05782	Ammi majus	Ammi majus	Medicinal Plant
BXGF05903	Crinum moorei	Crinum moorei	Others
BXGF05913	Eucalyptus globulus subsp. bicostata	Eucalyptus globulus subsp. bicostata	Medicinal Plant
BXGF05970	Nauclea parva	Nauclea parva	Others
BXGF06024	Uvaria microcarpa	Uvaria microcarpa	Human Edible Plant
BXGF06069	Dendrobium loddigesii	Dendrobium loddigesii	Medicinal Plant
BXGF06119	Gypsophila perfoliata	Gypsophila perfoliata	Others
BXGF06123	Cousinia canescens	Cousinia canescens	Others
BXGF06195	Pterocaulon virgatum	Pterocaulon virgatum	Medicinal Plant
BXGF06241	Vernonia cistifolia	Vernonia cistifolia	Others
BXGF06274	Sonneratia caseolaris	Sonneratia caseolaris	Medicinal Plant
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}