acompound

Showing entry for Polypodine b

　　　　　　　　　　　　　　　

General Compound Information
BXGC Id	BXGC0050083
Compound Name	Polypodine b
Structure
Formula	C27H44O8
InchiKey	GMFLGNRCCFYOKL-RWGAYUDGSA-N
SMILES	O[C@H]1C[C@]2(C)[C@H]3CC[C@]4([C@@](C3=CC(=O)[C@@]2(C[C@H]1O)O)(O)CC[C@@H]4[C@@]([C@@H](CCC(O)(C)C)O)(O)C)C
Inchi	InChI=1S/C27H44O8/c1-22(2,32)9-8-20(30)25(5,33)19-7-11-26(34)16-12-21(31)27(35)14-18(29)17(28)13-24(27,4)15(16)6-10-23(19,26)3/h12,15,17-20,28-30,32-35H,6-11,13-14H2,1-5H3/t15-,17-,18+,19-,20+,23+,24+,25-,26+,27+/m0/s1
IUPAC	(2S,3R,5S,9R,10R,13R,14S,17S)-2,3,5,14-tetrahydroxy-10,13-dimethyl-17-[(2S,3R)-2,3,6-trihydroxy-6-methylheptan-2-yl]-1,2,3,4,9,11,12,15,16,17-decahydrocyclopenta[a]phenanthren-6-one
Molecular Weight	496.3
Pubchem Id	12314441
Chembl Id	CHEMBL522181

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
P08183	BXGT006741	ATP-dependent translocase ABCB1	reviewed	Transporter	ABCB1	FICI	'='	1	-
P08183	BXGT006741	ATP-dependent translocase ABCB1	reviewed	Transporter	ABCB1	FICI	'='	0	-
P08183	BXGT006741	ATP-dependent translocase ABCB1	reviewed	Transporter	ABCB1	Ratio	'='	0	-
P08183	BXGT006741	ATP-dependent translocase ABCB1	reviewed	Transporter	ABCB1	FICI	'='	0	-

Foods containing the compound

Foods

BXGF Id	Food Name	Scientific Name	Food Group
BXGF Id	Food Name	Scientific Name	Food Group
BXGF00944	Ajuga reptans	Ajuga reptans	Medicinal Plant
BXGF01515	Polypodium vulgare	Polypodium vulgare	Medicinal Plant
BXGF02489	Ajuga decumbens	Ajuga decumbens	Medicinal Plant
BXGF03442	Rhaponticum carthamoides	Rhaponticum carthamoides	Medicinal Plant
BXGF04427	Silene banksia	Silene banksia	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}