acompound

Showing entry for Imbricatolic Acid

General Compound Information
BXGC Id	BXGC0052694
Compound Name	Imbricatolic Acid
Structure
Formula	C20H34O3
InchiKey	NSRKLZRKJJQJLD-BEUFEYIVSA-N
SMILES	OCC[C@H](CC[C@H]1C(=C)CC[C@@H]2[C@]1(C)CCC[C@]2(C)C(=O)O)C
Inchi	InChI=1S/C20H34O3/c1-14(10-13-21)6-8-16-15(2)7-9-17-19(16,3)11-5-12-20(17,4)18(22)23/h14,16-17,21H,2,5-13H2,1,3-4H3,(H,22,23)/t14-,16-,17+,19+,20-/m0/s1
IUPAC	(1S,4aR,5S,8aR)-5-[(3S)-5-hydroxy-3-methylpentyl]-1,4a-dimethyl-6-methylidene-3,4,5,7,8,8a-hexahydro-2H-naphthalene-1-carboxylic acid
Molecular Weight	322.25
Pubchem Id	70688370
Chembl Id	CHEMBL2048004

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

50155758

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	BXGT008369	Tyrosine-protein phosphatase non-receptor type 1	reviewed		PTPN1	-	8800	-	-

CHEMBL

CHEMBL2048004

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
P18031	BXGT008369	Tyrosine-protein phosphatase non-receptor type 1	reviewed	-	PTPN1	IC50	'='	8800	nM
P18031	BXGT008369	Tyrosine-protein phosphatase non-receptor type 1	reviewed	-	PTPN1	Inhibition	'='	67	%
P18031	BXGT008369	Tyrosine-protein phosphatase non-receptor type 1	reviewed	-	PTPN1	Inhibition	'='	59	%
P18031	BXGT008369	Tyrosine-protein phosphatase non-receptor type 1	reviewed	-	PTPN1	Inhibition	'='	19	%
P18031	BXGT008369	Tyrosine-protein phosphatase non-receptor type 1	reviewed	-	PTPN1	Inhibition	'='	5	%
P18031	BXGT008369	Tyrosine-protein phosphatase non-receptor type 1	reviewed	-	PTPN1	Inhibition	'='	71	%

Foods containing the compound

Foods

BXGF Id	Food Name	Scientific Name	Food Group
BXGF Id	Food Name	Scientific Name	Food Group
BXGF00021	Asparagus	Asparagus officinalis	Vegetables
BXGF00966	Tristania conferta	Tristania conferta	Others
BXGF00972	Plectranthus myrianthus	Plectranthus myrianthus	Others
BXGF01024	Pentaclethra macrophylla	Pentaclethra macrophylla	Medicinal Plant
BXGF01064	Lepidium apetalum	Lepidium apetalum	Medicinal Plant
BXGF01085	Veronica polita	Veronica polita	Medicinal Plant
BXGF01183	Glycosmis macrophylla	Glycosmis macrophylla	Others
BXGF01253	Stephania zippeliana	Stephania zippeliana	Others
BXGF01329	Eucalyptus apodophylla	Eucalyptus apodophylla	Medicinal Plant
BXGF01416	Hypericum polyanthemum	Hypericum polyanthemum	Others
BXGF01418	Distephanus angulifolius	Distephanus angulifolius	Others
BXGF01480	Periploca sepium	Periploca sepium	Medicinal Plant
BXGF01548	Campylotropis hirtella	Campylotropis hirtella	Medicinal Plant
BXGF02633	Breonia chinensis	Breonia chinensis	Medicinal Plant
BXGF03518	Mentha cardiaca	Mentha cardiaca	Others
BXGF03576	Actinidia deliciosa	Actinidia deliciosa	Medicinal Plant
BXGF03637	Rhodiola semenovii	Rhodiola semenovii	Others
BXGF05170	Crotalaria candicans	Crotalaria candicans	Others
BXGF05385	Eria japonica	Eria japonica	Others
BXGF05427	Salvia sessei	Salvia sessei	Others
BXGF05466	Juniperus drupacea	Juniperus drupacea	Medicinal Plant
BXGF05615	Ceropegia dichotoma	Ceropegia dichotoma	Garden Plant
BXGF05698	Ulva conglobata	Ulva conglobata	Medicinal Plant
BXGF05708	Ononis spinosa	Ononis spinosa	Medicinal Plant
BXGF05750	Astragalus dissectus	Astragalus dissectus	Others
BXGF05903	Crinum moorei	Crinum moorei	Others
BXGF05913	Eucalyptus globulus subsp. bicostata	Eucalyptus globulus subsp. bicostata	Medicinal Plant
BXGF05976	Ocotea minarum	Ocotea minarum	Others
BXGF06069	Dendrobium loddigesii	Dendrobium loddigesii	Medicinal Plant
BXGF06119	Gypsophila perfoliata	Gypsophila perfoliata	Others
BXGF06195	Pterocaulon virgatum	Pterocaulon virgatum	Medicinal Plant
BXGF06241	Vernonia cistifolia	Vernonia cistifolia	Others
BXGF06274	Sonneratia caseolaris	Sonneratia caseolaris	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}