acompound

Showing entry for Cucurbitacin D

　　　　　　　　　　　　　　　

General Compound Information
BXGC Id	BXGC0041885
Compound Name	Cucurbitacin D
Structure
Formula	C30H44O7
InchiKey	SRPHMISUTWFFKJ-QJNWWGCFSA-N
SMILES	O[C@H]1C[C@@H]2C(=CC[C@@H]3[C@@]2(C)C(=O)C[C@]2([C@@]3(C)C[C@H]([C@@H]2[C@](C(=O)/C=C/C(O)(C)C)(O)C)O)C)C(C1=O)(C)C
Inchi	InChI=1S/C30H44O7/c1-25(2,36)12-11-21(33)30(8,37)23-19(32)14-27(5)20-10-9-16-17(13-18(31)24(35)26(16,3)4)29(20,7)22(34)15-28(23,27)6/h9,11-12,17-20,23,31-32,36-37H,10,13-15H2,1-8H3/b12-11+/t17-,18+,19-,20+,23+,27+,28-,29+,30+/m1/s1
IUPAC	(2S,8S,9R,10R,13R,14S,16R,17R)-17-[(E,2R)-2,6-dihydroxy-6-methyl-3-oxohept-4-en-2-yl]-2,16-dihydroxy-4,4,9,13,14-pentamethyl-2,7,8,10,12,15,16,17-octahydro-1H-cyclopenta[a]phenanthrene-3,11-dione
Molecular Weight	516.31
Pubchem Id	5281318
Chembl Id	CHEMBL493646

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

n.a

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

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
P20701	BXGT008591	Integrin alpha-L	reviewed	-	ITGAL	IC50	'='	1360	nM
P08238	BXGT006753	Heat shock protein HSP 90-beta	reviewed	Chaperone	HSP90AB1	Inhibition	-	-	-
P07900	BXGT006696	Heat shock protein HSP 90-alpha	reviewed	Chaperone	HSP90AA1	Inhibition	-	-	-

Foods containing the compound

Foods

BXGF Id	Food Name	Scientific Name	Food Group
BXGF Id	Food Name	Scientific Name	Food Group
BXGF00937	Sloanea zuliaensis	Sloanea zuliaensis	Others
BXGF01673	Trichosanthes bracteata	Trichosanthes bracteata	Medicinal Plant
BXGF03319	Trichosanthes kirilowii	Trichosanthes kirilowii	Medicinal Plant
BXGF05322	Trichosanthes rosthornii	Trichosanthes rosthornii	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}