acompound

Showing entry for Makisterone A

　　　　　　　　　　　　　　　

General Compound Information
BXGC Id	BXGC0028273
Compound Name	Makisterone A
Structure
Formula	C28H46O7
InchiKey	IJRBORPEVKCEQD-JMQWOFAPSA-N
SMILES	O[C@H]1C[C@@]2(C)[C@@H](C[C@H]1O)C(=O)C=C1[C@@H]2CC[C@]2([C@@]1(O)CC[C@@H]2[C@]([C@@H](C[C@H](C(O)(C)C)C)O)(O)C)C
Inchi	InChI=1S/C28H46O7/c1-15(24(2,3)33)11-23(32)27(6,34)22-8-10-28(35)17-12-19(29)18-13-20(30)21(31)14-25(18,4)16(17)7-9-26(22,28)5/h12,15-16,18,20-23,30-35H,7-11,13-14H2,1-6H3/t15-,16+,18+,20-,21+,22+,23-,25-,26-,27-,28-/m1/s1
IUPAC	(2S,3R,5R,9R,10R,13R,14S,17S)-2,3,14-trihydroxy-10,13-dimethyl-17-[(2R,3R,5R)-2,3,6-trihydroxy-5,6-dimethylheptan-2-yl]-2,3,4,5,9,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-6-one
Molecular Weight	494.32
Pubchem Id	12312690
Chembl Id	CHEMBL255034

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	BXGT006812	Cytochrome P450 3A4	reviewed	Enzyme	CYP3A4	-	>100000	-	-
reviewed	BXGT009746	Ecdysone receptor	reviewed		EcR	-	112.2	-	-

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
P34021	BXGT009746	Ecdysone receptor	reviewed	-	EcR	IC50	'='	112	nM
Q4W6C8	BXGT014902	Ultraspiracle	unreviewed	-	LdUSP	IC50	'='	1737	nM
Q4W6D0	BXGT014903	Ecdysone receptor A isoform	unreviewed	-	LdEcR-A	IC50	'='	1737	nM
E5L6Y0	BXGT003128	Ultraspiracle	unreviewed	-	USP	IC50	'='	1380	nM
E5L6Y1	BXGT003129	Ecdysone receptor isoform A	unreviewed	-		IC50	'='	1380	nM
Q8MWR1	BXGT018488	Ultraspiracle protein	unreviewed	-	USP	IC50	'='	389	nM
Q8MWR2	BXGT018489	Ecdysteroid receptor	unreviewed	-	EcR	IC50	'='	389	nM
P08684	BXGT006812	Cytochrome P450 3A4	reviewed	Enzyme	CYP3A4	IC50	'>'	100000	nM
P20153	BXGT008547	Protein ultraspiracle	reviewed	-	usp	IC50	'='	1380	nM
P34021	BXGT009746	Ecdysone receptor	reviewed	-	EcR	IC50	'='	1380	nM

Foods containing the compound

Foods

BXGF Id	Food Name	Scientific Name	Food Group
BXGF Id	Food Name	Scientific Name	Food Group
BXGF04436	Podocarpus macrophyllus	Podocarpus macrophyllus	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}