acompound

Showing entry for Moronic Acid

General Compound Information
BXGC Id	BXGC0049477
Compound Name	Moronic Acid
Structure
Formula	C30H46O3
InchiKey	UMYJVVZWBKIXQQ-QALSDZMNSA-N
SMILES	OC(=O)[C@]12CC[C@@]3([C@@H](C2=CC(CC1)(C)C)CC[C@H]1[C@@]3(C)CC[C@@H]2[C@]1(C)CCC(=O)C2(C)C)C
Inchi	InChI=1S/C30H46O3/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/h18-19,21-22H,8-17H2,1-7H3,(H,32,33)/t19-,21+,22-,27+,28-,29-,30+/m1/s1
IUPAC	(4aS,6aR,6aR,6bR,8aR,12aR,14aS)-2,2,6a,6b,9,9,12a-heptamethyl-10-oxo-4,5,6,6a,7,8,8a,11,12,13,14,14a-dodecahydro-3H-picene-4a-carboxylic acid
Molecular Weight	454.34
Pubchem Id	489941
Chembl Id	CHEMBL472646

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

54263

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	BXGT020526	Nucleotide-binding oligomerization domain-containing protein 2	reviewed	Enzyme	NOD2	-	8077	-	-
reviewed	BXGT022213	Nucleotide-binding oligomerization domain-containing protein 1	reviewed	Enzyme	NOD1	-	-	-	2270
reviewed	BXGT005753	Tumor necrosis factor	reviewed	Signaling	TNF	-	10880	-	-
reviewed	BXGT008369	Tyrosine-protein phosphatase non-receptor type 1	reviewed		PTPN1	-	13200	-	-
reviewed	BXGT008369	Tyrosine-protein phosphatase non-receptor type 1	reviewed		PTPN1	8000	-	-	-
reviewed	BXGT007581	Receptor-type tyrosine-protein phosphatase F	reviewed	Enzyme	PTPRF	-	45600	-	-
reviewed	BXGT008986	Low molecular weight phosphotyrosine protein phosphatase	reviewed		ACP1	-	20600	-	-
reviewed	BXGT008986	Low molecular weight phosphotyrosine protein phosphatase	reviewed		ACP1	-	27400	-	-

CHEMBL

CHEMBL472646

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
P02545	BXGT005889	Prelamin-A/C	reviewed	-	LMNA	Potency	'='	11	nM
P18031	BXGT008369	Tyrosine-protein phosphatase non-receptor type 1	reviewed	-	PTPN1	Ki	'='	8000	nM
P24666	BXGT008986	Low molecular weight phosphotyrosine protein phosphatase	reviewed	-	ACP1	IC50	'='	20600	nM
Q16637	BXGT013646	Survival motor neuron protein	reviewed	Epigenetic regulator	SMN1	Potency	'='	5011	nM
Q03431	BXGT012714	Parathyroid hormone/parathyroid hormone-related peptide receptor	reviewed	G-protein coupled receptor	PTH1R	Potency	-	44668	nM
P18031	BXGT008369	Tyrosine-protein phosphatase non-receptor type 1	reviewed	-	PTPN1	IC50	'='	13200	nM
Q9NUW8	BXGT021219	Tyrosyl-DNA phosphodiesterase 1	reviewed	Enzyme	TDP1	Potency	-	8199	nM
P25779	BXGT009067	Cruzipain	reviewed	-		Potency	'='	39810	nM
Q9UIF8	BXGT021718	Bromodomain adjacent to zinc finger domain protein 2B	reviewed	-	BAZ2B	Potency	-	631	nM
P53350	BXGT010984	Serine/threonine-protein kinase PLK1	reviewed	Kinase	PLK1	Potency	-	33587	nM
P18031	BXGT008369	Tyrosine-protein phosphatase non-receptor type 1	reviewed	-	PTPN1	Inhibition	-	-	-
P10586	BXGT007581	Receptor-type tyrosine-protein phosphatase F	reviewed	Enzyme	PTPRF	IC50	'='	45600	nM
Q96QE3	BXGT019718	ATPase family AAA domain-containing protein 5	reviewed	-	ATAD5	Potency	-	18356	nM
P24666	BXGT008986	Low molecular weight phosphotyrosine protein phosphatase	reviewed	-	ACP1	IC50	'='	27400	nM
Q6W5P4	BXGT016588	Neuropeptide S receptor	reviewed	-	NPSR1	Potency	'='	10000	nM
Q9NUW8	BXGT021219	Tyrosyl-DNA phosphodiesterase 1	reviewed	Enzyme	TDP1	Potency	-	5173	nM

Foods containing the compound

Foods

BXGF Id	Food Name	Scientific Name	Food Group
BXGF Id	Food Name	Scientific Name	Food Group
BXGF01002	Acridocarpus vivy	Acridocarpus vivy	Others
BXGF01104	Garcinia cambogia	Garcinia cambogia	Medicinal Plant
BXGF01252	Petasites laevigatus	Petasites laevigatus	Medicinal Plant
BXGF01345	Jasminum humile	Jasminum humile	Medicinal Plant
BXGF01404	Sphaeranthus confertifolius	Sphaeranthus confertifolius	Others
BXGF01556	Ornithoglossum viride	Ornithoglossum viride	Others
BXGF01606	Schizanthus tricolor	Schizanthus tricolor	Others
BXGF01631	Anodendron affine	Anodendron affine	Medicinal Plant
BXGF01669	Hertia cheirifolia	Hertia cheirifolia	Others
BXGF01720	Cedrela salvadorensis	Cedrela salvadorensis	Others
BXGF01908	Rhus chinensis	Rhus chinensis	Medicinal Plant
BXGF01936	Brucea javanica	Brucea javanica	Medicinal Plant
BXGF02407	Neolitsea zeylanica	Neolitsea zeylanica	Medicinal Plant
BXGF02456	Festuca versuta	Festuca versuta	Others
BXGF02621	Euonymus atropurpureus	Euonymus atropurpureus	Medicinal Plant
BXGF05217	Rhus punjabensis	Rhus punjabensis	Medicinal Plant
BXGF05350	Coccinia grandis	Coccinia grandis	Medicinal Plant
BXGF05436	Rubia tetragona	Rubia tetragona	Others
BXGF05601	Rhus potaninii	Rhus potaninii	Human Edible Plant
BXGF05858	Ormosia hosiei	Ormosia hosiei	Medicinal Plant
BXGF05860	Phoradendron reichenbachianum	Phoradendron reichenbachianum	Medicinal Plant
BXGF06250	Licaria chrysophylla	Licaria chrysophylla	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}