acompound

General Compound Information
BXGC Id	BXGC0041145
Compound Name	Augustic Acid
Structure
Formula	C30H48O4
InchiKey	MDZKJHQSJHYOHJ-KRGADYIYSA-N
SMILES	O[C@H]1C[C@@]2(C)[C@H](C([C@H]1O)(C)C)CC[C@@]1([C@@H]2CC=C2[C@@]1(C)CC[C@@]1([C@H]2CC(C)(C)CC1)C(=O)O)C
Inchi	InChI=1S/C30H48O4/c1-25(2)12-14-30(24(33)34)15-13-28(6)18(19(30)16-25)8-9-22-27(5)17-20(31)23(32)26(3,4)21(27)10-11-29(22,28)7/h8,19-23,31-32H,9-17H2,1-7H3,(H,33,34)/t19-,20-,21-,22+,23-,27-,28+,29+,30-/m0/s1
IUPAC	(4aS,6aR,6aS,6bR,8aR,10R,11S,12aR,14bS)-10,11-dihydroxy-2,2,6a,6b,9,9,12a-heptamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylic acid
Molecular Weight	472.36
Pubchem Id	15560128
Chembl Id	CHEMBL482673

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

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	BXGT011959	Cholinesterase	reviewed		BCHE	35640	-	-	-
reviewed	BXGT011959	Cholinesterase	reviewed		BCHE	-	16560	-	-
reviewed	BXGT004559	Acetylcholinesterase	reviewed		ache	>30000	-	-	-
reviewed	BXGT008369	Tyrosine-protein phosphatase non-receptor type 1	reviewed		PTPN1	-	4930	-	-
reviewed	BXGT005553	Glycogen phosphorylase, muscle form	reviewed		PYGM	-	34000	-	-

CHEMBL

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
P81908	BXGT011959	Cholinesterase	reviewed	-	BCHE	IC50	'='	16560	nM
P17706	BXGT008330	Tyrosine-protein phosphatase non-receptor type 2	reviewed	-	PTPN2	IC50	-	-	-
P00489	BXGT005553	Glycogen phosphorylase, muscle form	reviewed	-	PYGM	IC50	'='	34000	nM
P81908	BXGT011959	Cholinesterase	reviewed	-	BCHE	Ki	'='	35640	nM
P00489	BXGT005553	Glycogen phosphorylase, muscle form	reviewed	-	PYGM	IC50	'='	33884	nM
P18031	BXGT008369	Tyrosine-protein phosphatase non-receptor type 1	reviewed	-	PTPN1	IC50	'='	4930	nM
O42275	BXGT004559	Acetylcholinesterase	reviewed	-	ache	Ki	'>'	30000	nM
P81908	BXGT011959	Cholinesterase	reviewed	-	BCHE	Kiuc	'='	10	uM

Foods containing the compound

Foods

BXGF Id	Food Name	Scientific Name	Food Group
BXGF Id	Food Name	Scientific Name	Food Group
BXGF00159	Rosemary	Rosmarinus officinalis	Herbs and Spices
BXGF00959	Artemisia hanseniana	Artemisia hanseniana	Others
BXGF01159	Kopsia grandifolia	Kopsia grandifolia	Others
BXGF01281	Ledebouria socialis	Ledebouria socialis	Others
BXGF01361	Lycopus europaeus	Lycopus europaeus	Medicinal Plant
BXGF01400	Dipterocarpus dyeri	Dipterocarpus dyeri	Others
BXGF01518	Ipomoea cairica	Ipomoea cairica	Medicinal Plant
BXGF01699	Ceanothus velutinus	Ceanothus velutinus	Medicinal Plant
BXGF01732	Garcinia scortechinii	Garcinia scortechinii	Others
BXGF01756	Apollonias barbujana	Apollonias barbujana	Others
BXGF01781	Chlorophytum borivilianum	Chlorophytum borivilianum	Medicinal Plant
BXGF02316	Isodon lophanthoides	Isodon lophanthoides	Medicinal Plant
BXGF02596	Fragaria vesca	Fragaria vesca	Medicinal Plant
BXGF02792	Ligusticum sinense	Ligusticum sinense	Medicinal Plant
BXGF03090	Lasianthus fordii	Lasianthus fordii	Others
BXGF03379	Cnidium officinale	Cnidium officinale	Medicinal Plant
BXGF05096	Aconitum leucostomum	Aconitum leucostomum	Medicinal Plant
BXGF05200	Aquilegia ecalcarata	Aquilegia ecalcarata	Medicinal Plant
BXGF05316	Persea mexicana	Persea mexicana	Others
BXGF05767	Gardenia tubifera	Gardenia tubifera	Medicinal Plant
BXGF05845	Panax innovans	Panax innovans	Others
BXGF05880	Holarrhena pubescens	Holarrhena pubescens	Medicinal Plant
BXGF05956	Blumea mollis	Blumea mollis	Medicinal Plant
BXGF06070	Perilla frutescens	Perilla frutescens	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}