acompound

Showing entry for Calceolarioside B

General Compound Information
BXGC Id	BXGC0038462
Compound Name	Calceolarioside B
Structure
Formula	C23H26O11
InchiKey	LFKQVVDFNHDYNK-FOXCETOMSA-N
SMILES	O=C(OC[C@H]1O[C@@H](OCCc2ccc(c(c2)O)O)[C@@H]([C@H]([C@@H]1O)O)O)/C=C/c1ccc(c(c1)O)O
Inchi	InChI=1S/C23H26O11/c24-14-4-1-12(9-16(14)26)3-6-19(28)33-11-18-20(29)21(30)22(31)23(34-18)32-8-7-13-2-5-15(25)17(27)10-13/h1-6,9-10,18,20-27,29-31H,7-8,11H2/b6-3+/t18-,20-,21+,22-,23-/m1/s1
IUPAC	[(2R,3S,4S,5R,6R)-6-[2-(3,4-dihydroxyphenyl)ethoxy]-3,4,5-trihydroxyoxan-2-yl]methyl (E)-3-(3,4-dihydroxyphenyl)prop-2-enoate
Molecular Weight	478.15
Pubchem Id	5273567
Chembl Id	CHEMBL518414

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

50269516

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	BXGT008294	Protein kinase C alpha type	reviewed	Kinase	PRKCA	-	4600	-	-
reviewed	BXGT007717	Aromatase	reviewed	Enzyme	CYP19A1	-	35300	-	-

CHEMBL

CHEMBL518414

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
P05979	BXGT006400	Prostaglandin G/H synthase 1	reviewed	-	PTGS1	Inhibition	-	-	-
P35354	BXGT009816	Prostaglandin G/H synthase 2	reviewed	Enzyme	PTGS2	Inhibition	-	-	-
P17252	BXGT008294	Protein kinase C alpha type	reviewed	Kinase	PRKCA	IC50	'='	4600	nM
P11511	BXGT007717	Aromatase	reviewed	Enzyme	CYP19A1	IC50	'='	35300	nM

Foods containing the compound

Foods

BXGF Id	Food Name	Scientific Name	Food Group
BXGF Id	Food Name	Scientific Name	Food Group
BXGF00858	Euphorbia antiquorum	Euphorbia antiquorum	Medicinal Plant
BXGF00952	Cyathula tomentosa	Cyathula tomentosa	Medicinal Plant
BXGF01036	Sargentodoxa cuneata	Sargentodoxa cuneata	Medicinal Plant
BXGF01081	Akebia trifoliata	Akebia trifoliata	Medicinal Plant
BXGF01096	Scapania aequiloba	Scapania aequiloba	Others
BXGF01099	Exochorda giraldii	Exochorda giraldii	Others
BXGF01189	Artemisia argentea	Artemisia argentea	Others
BXGF01392	Brodiaea californica	Brodiaea californica	Others
BXGF01517	Allium stipitatum	Allium stipitatum	Medicinal Plant
BXGF01564	Spergula japonica	Spergula japonica	Others
BXGF01627	Asphodeline damascena	Asphodeline damascena	Others
BXGF01690	Populus yunnanensis	Populus yunnanensis	Others
BXGF01727	Fraxinus ornus	Fraxinus ornus	Medicinal Plant
BXGF01815	Scabiosa comosa	Scabiosa comosa	Medicinal Plant
BXGF01842	Plectranthus lanuginosus	Plectranthus lanuginosus	Medicinal Plant
BXGF01873	Kopsia longiflora	Kopsia longiflora	Medicinal Plant
BXGF01938	Lepidophorum repandum	Lepidophorum repandum	Others
BXGF01962	Alstonia pittieri	Alstonia pittieri	Others
BXGF01965	Angiopteris evecta	Angiopteris evecta	Medicinal Plant
BXGF02126	Rhododendron campylocarpum	Rhododendron campylocarpum	Others
BXGF02208	Stephania aculeata	Stephania aculeata	Others
BXGF02337	Penstemon linarioides	Penstemon linarioides	Others
BXGF02545	Toddalia aculeata	Toddalia aculeata	Medicinal Plant
BXGF02903	Lepisorus contortus	Lepisorus contortus	Others
BXGF02927	Akebia quinata	Akebia quinata	Medicinal Plant
BXGF03396	Himantoglossum hircinum	Himantoglossum hircinum	Others
BXGF04036	Solanum pseudopersicum	Solanum pseudopersicum	Others
BXGF04287	Acacia lasiopetala	Acacia lasiopetala	Others
BXGF04377	Euphrasia rubra	Euphrasia rubra	Others
BXGF04597	Notholaena lemmonii	Notholaena lemmonii	Others
BXGF04861	Rhodanthe maryonii	Rhodanthe maryonii	Others
BXGF05098	Plantago asiatica	Plantago asiatica	Medicinal Plant
BXGF05276	Digitalis purpurea	Digitalis purpurea	Medicinal Plant
BXGF05402	Myristica malabarica	Myristica malabarica	Medicinal Plant
BXGF05572	Spartium junceum	Spartium junceum	Medicinal Plant
BXGF06049	Eucalyptus kitsoniana	Eucalyptus kitsoniana	Others
BXGF06308	Plagiomnium cuspidatum	Plagiomnium cuspidatum	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}