acompound

Showing entry for Cinnamtannin B2

General Compound Information
BXGC Id	BXGC0009036
Compound Name	Cinnamtannin B2
Structure
Formula	C60H48O24
InchiKey	QRQAODSINXAOBF-UKTWWWBFSA-N
SMILES	O[C@@H]1CC2=C(O)C=C(O)C([C@@H]3[C@@H](O)[C@H](OC4=C5[C@@H]6[C@@H](O)[C@](OC5=CC(O)=C34)(OC3=C([C@@H]4[C@@H](O)[C@H](OC5=CC(O)=CC(O)=C45)C4=CC=C(O)C(O)=C4)C(O)=CC(O)=C63)C3=CC=C(O)C(O)=C3)C3=CC=C(O)C(O)=C3)=C2O[C@@H]1C1=CC=C(O)C(O)=C1
Inchi	InChI=1S/C60H48O24/c61-23-13-34(71)42-40(14-23)80-54(20-2-6-26(63)31(68)10-20)51(77)48(42)45-36(73)17-37(74)46-50-47-41(83-60(59(50)79,84-58(45)46)22-4-8-28(65)33(70)12-22)18-38(75)44-49(52(78)55(82-57(44)47)21-3-7-27(64)32(69)11-21)43-35(72)16-29(66)24-1
IUPAC	(1R,5R,6R,7S,13R,21R)-5,13-bis(3,4-dihydroxyphenyl)-16-[(2R,3R,4R)-2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-3,4-dihydro-2H-1-benzopyran-4-yl]-7-[(2R,3R)-2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-3,4-dihydro-2H-1-benzopyran-8-yl]-4,12,14-trioxapentacyclo[11
Molecular Weight	1153.01
Pubchem Id	16130973
Chembl Id	CHEMBL410924

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

CHEMBL410924

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
Q72547	BXGT016709	Reverse transcriptase/RNaseH	unreviewed	-	pol	Inhibition	'='	19	%

Foods containing the compound

Foods

BXGF Id	Food Name	Scientific Name	Food Group
BXGF Id	Food Name	Scientific Name	Food Group
BXGF00051	Ceylon cinnamon	Cinnamomum verum	Herbs and Spices
BXGF00194	Lingonberry	Vaccinium vitis-idaea	Fruits
BXGF00818	Herbs and Spices		Herbs and Spices
BXGF00823	Fruits		Fruits
BXGF00980	Parameria laevigata	Parameria laevigata	Medicinal Plant
BXGF03479	Bombax ceiba	Bombax ceiba	Medicinal Plant
BXGF04087	Erysimum odoratum	Erysimum odoratum	Others
BXGF04092	Heterotheca inuloides	Heterotheca inuloides	Medicinal Plant
BXGF04098	Delphinium andersoni	Delphinium andersoni	Others
BXGF04126	Vismia jefensis	Vismia jefensis	Others
BXGF04142	Angelica tarokoensis	Angelica tarokoensis	Others
BXGF04147	Swertia delavayi	Swertia delavayi	Others
BXGF04165	Epimedium davidii	Epimedium davidii	Medicinal Plant
BXGF04168	Globba malaccensis	Globba malaccensis	Medicinal Plant
BXGF04175	Diphasia angolensis	Diphasia angolensis	Others
BXGF04182	Knightia excelsa	Knightia excelsa	Medicinal Plant
BXGF04199	Isodon japonicus	Isodon japonicus	Medicinal Plant
BXGF04207	Solanum acaule	Solanum acaule	Others
BXGF04216	Frullania tamarisci	Frullania tamarisci	Others
BXGF04221	Alangium premnifolium	Alangium premnifolium	Others
BXGF04233	Saussurea carthamoides	Saussurea carthamoides	Others
BXGF04250	Galenia africana	Galenia africana	Medicinal Plant
BXGF04264	Micromeria pineolens	Micromeria pineolens	Others
BXGF04269	Gnidia lamprantha	Gnidia lamprantha	Medicinal Plant
BXGF04276	Ilex amara	Ilex amara	Others
BXGF04295	Leonurus glaucescens	Leonurus glaucescens	Medicinal Plant
BXGF04342	Salacia madagascariensis	Salacia madagascariensis	Human Edible Plant
BXGF04343	Maba buxifolia	Maba buxifolia	Medicinal Plant
BXGF04777	Quercus sessiliflora	Quercus sessiliflora	Others
BXGF05480	Lepidium draba	Lepidium draba	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}