acompound

Showing entry for Morolic Acid

General Compound Information
BXGC Id	BXGC0023586
Compound Name	Morolic Acid
Structure
Formula	C30H48O3
InchiKey	RGZSSKBTFGNUCG-VNTGHVHSSA-N
SMILES	O[C@H]1CC[C@]2([C@H](C1(C)C)CC[C@@]1([C@@H]2CC[C@H]2[C@@]1(C)CC[C@@]1(C2=CC(C)(C)CC1)C(=O)O)C)C
Inchi	InChI=1S/C30H48O3/c1-25(2)14-16-30(24(32)33)17-15-28(6)19(20(30)18-25)8-9-22-27(5)12-11-23(31)26(3,4)21(27)10-13-29(22,28)7/h18-19,21-23,31H,8-17H2,1-7H3,(H,32,33)/t19-,21+,22-,23+,27+,28-,29-,30+/m1/s1
IUPAC	(4aS,6aR,6aR,6bR,8aR,10S,12aR,14aS)-10-hydroxy-2,2,6a,6b,9,9,12a-heptamethyl-3,4,5,6,6a,7,8,8a,10,11,12,13,14,14a-tetradecahydropicene-4a-carboxylic acid
Molecular Weight	456.36
Pubchem Id	489944
Chembl Id	CHEMBL463665

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

50391854

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	BXGT008986	Low molecular weight phosphotyrosine protein phosphatase	reviewed		ACP1	-	30600	-	-
reviewed	BXGT008369	Tyrosine-protein phosphatase non-receptor type 1	reviewed		PTPN1	7100	-	-	-
reviewed	BXGT008986	Low molecular weight phosphotyrosine protein phosphatase	reviewed		ACP1	-	13400	-	-
reviewed	BXGT007581	Receptor-type tyrosine-protein phosphatase F	reviewed	Enzyme	PTPRF	-	35900	-	-
reviewed	BXGT008369	Tyrosine-protein phosphatase non-receptor type 1	reviewed		PTPN1	-	9100	-	-

CHEMBL

CHEMBL463665

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	Inhibition	-	-	-
P24666	BXGT008986	Low molecular weight phosphotyrosine protein phosphatase	reviewed	-	ACP1	IC50	'='	30600	nM
P24666	BXGT008986	Low molecular weight phosphotyrosine protein phosphatase	reviewed	-	ACP1	IC50	'='	13400	nM
P18031	BXGT008369	Tyrosine-protein phosphatase non-receptor type 1	reviewed	-	PTPN1	IC50	'='	9100	nM
P10586	BXGT007581	Receptor-type tyrosine-protein phosphatase F	reviewed	Enzyme	PTPRF	IC50	'='	35900	nM
P18031	BXGT008369	Tyrosine-protein phosphatase non-receptor type 1	reviewed	-	PTPN1	Ki	'='	7100	nM

Foods containing the compound

Foods

BXGF Id	Food Name	Scientific Name	Food Group
BXGF Id	Food Name	Scientific Name	Food Group
BXGF01376	Acicarpha tribuloides	Acicarpha tribuloides	Others
BXGF01546	Vallaris heynei	Vallaris heynei	Medicinal Plant
BXGF02064	Corymbia citriodora	Corymbia citriodora	Medicinal Plant
BXGF02171	Centaurea musimomum	Centaurea musimomum	Others
BXGF02702	Arundo donax	Arundo donax	Medicinal Plant
BXGF02796	Centaurea arbutifolia	Centaurea arbutifolia	Others
BXGF02901	Senecio zoellneri	Senecio zoellneri	Others
BXGF03118	Piper acutifolium	Piper acutifolium	Medicinal Plant
BXGF03308	Bidens tripartita	Bidens tripartita	Medicinal Plant
BXGF03363	Hypericum japonicum	Hypericum japonicum	Medicinal Plant
BXGF03405	Genista sessilifolia	Genista sessilifolia	Others
BXGF03467	Corydalis sewerzowi	Corydalis sewerzowi	Medicinal Plant
BXGF03493	Trapa bicornis	Trapa bicornis	Medicinal Plant
BXGF03594	Cacalia robusta	Cacalia robusta	Others
BXGF03609	Xyris indica	Xyris indica	Medicinal Plant
BXGF03629	Aconitum palmatum	Aconitum palmatum	Medicinal Plant
BXGF03650	Onoseris alata	Onoseris alata	Others
BXGF03659	Carpesium faberi	Carpesium faberi	Others
BXGF03668	Vellozia streptophylla	Vellozia streptophylla	Others
BXGF03681	Aconitum tianschanicum	Aconitum tianschanicum	Others
BXGF03691	Solanum diflorum	Solanum diflorum	Others
BXGF03699	Staehelina fruticosa	Staehelina fruticosa	Others
BXGF03708	Gomphostemma parviflorum	Gomphostemma parviflorum	Others
BXGF03717	Chlamydomonas allensworthii	Chlamydomonas allensworthii	Others
BXGF03727	Hippobroma longiflora	Hippobroma longiflora	Others
BXGF03736	Psilotum nudum	Psilotum nudum	Medicinal Plant
BXGF03784	Codonopsis cordifolioidea	Codonopsis cordifolioidea	Human Edible Plant
BXGF03819	Ariocarpus fissuratus	Ariocarpus fissuratus	Human Edible Plant
BXGF05202	Flemingia philippinensis	Flemingia philippinensis	Medicinal Plant
BXGF05532	Aniba rosaeodora	Aniba rosaeodora	Medicinal Plant
BXGF05833	Dahlstedtia pentaphylla	Dahlstedtia pentaphylla	Others

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}