acompound

Showing entry for Phytolaccoside B

　　　　　　　　　　　　　　　

General Compound Information
BXGC Id	BXGC0016198
Compound Name	Phytolaccoside B
Structure
Formula	C36H56O11
InchiKey	SFZVDNKTWPZIJG-ACNZYQHGSA-N
SMILES	COC(=O)[C@@]1(C)CC[C@]2([C@@H](C1)C1=CC[C@H]3[C@@]([C@@]1(CC2)C)(C)CC[C@@H]1[C@]3(C)C[C@H](O)[C@@H]([C@@]1(C)CO)O[C@@H]1OC[C@H]([C@@H]([C@H]1O)O)O)C(=O)O
Inchi	InChI=1S/C36H56O11/c1-31(30(44)45-6)11-13-36(29(42)43)14-12-34(4)19(20(36)15-31)7-8-24-32(2)16-21(38)27(47-28-26(41)25(40)22(39)17-46-28)33(3,18-37)23(32)9-10-35(24,34)5/h7,20-28,37-41H,8-18H2,1-6H3,(H,42,43)/t20-,21-,22+,23+,24+,25-,26+,27-,28-,31-,32-,3
IUPAC	(2S,4aR,6aR,6aS,6bR,8aR,9R,10R,11S,12aR,14bS)-11-hydroxy-9-(hydroxymethyl)-2-methoxycarbonyl-2,6a,6b,9,12a-pentamethyl-10-[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxy-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylic acid
Molecular Weight	664.38
Pubchem Id	441939
Chembl Id	CHEMBL258392

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	BXGT006713	Chitin synthase 1	reviewed		CHS1	-	>400	-	-

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
P08004	BXGT006713	Chitin synthase 1	reviewed	-	CHS1	Activity	-	-	-
P29070	BXGT009312	Chitin synthase 1	reviewed	-	chs-1	Activity	'='	400	nm
P08004	BXGT006713	Chitin synthase 1	reviewed	-	CHS1	Activity	'='	165	%
P08183	BXGT006741	ATP-dependent translocase ABCB1	reviewed	Transporter	ABCB1	Activity	'='	128	%
P08004	BXGT006713	Chitin synthase 1	reviewed	-	CHS1	IC50	'>'	400	nM
P08183	BXGT006741	ATP-dependent translocase ABCB1	reviewed	Transporter	ABCB1	Activity	'='	123	%
P08183	BXGT006741	ATP-dependent translocase ABCB1	reviewed	Transporter	ABCB1	Activity	'='	117	%
P08004	BXGT006713	Chitin synthase 1	reviewed	-	CHS1	Activity	'='	23	%
P29070	BXGT009312	Chitin synthase 1	reviewed	-	chs-1	Activity	-	-	-
P08004	BXGT006713	Chitin synthase 1	reviewed	-	CHS1	Activity	'='	189	%

Foods containing the compound

Foods

BXGF Id	Food Name	Scientific Name	Food Group
BXGF Id	Food Name	Scientific Name	Food Group
BXGF00401	American pokeweed	Phytolacca americana	Vegetables
BXGF02138	Stachys mucronata	Stachys mucronata	Others
BXGF02599	Solanum sodomeum	Solanum sodomeum	Others
BXGF02818	Allium nutans	Allium nutans	Medicinal Plant
BXGF03121	Phytolacca acinosa	Phytolacca acinosa	Medicinal Plant
BXGF03528	Petalostemon gattingeri	Petalostemon gattingeri	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}