acompound

Showing entry for Cinnamtannin II

General Compound Information
BXGC Id	BXGC0009024
Compound Name	Cinnamtannin II
Structure
Formula	C75H62O30
InchiKey	QRFZGLTZLZZHCM-NWYMYRDLSA-N
SMILES	O[C@@H]1CC2=C(O)C=C(O)C([C@@H]3[C@@H](O)[C@H](OC4=C([C@@H]5[C@@H](O)[C@H](OC6=C([C@@H]7[C@@H](O)[C@H](OC8=C([C@@H]9[C@@H](O)[C@H](OC%10=CC(O)=CC(O)=C9%10)C9=CC=C(O)C(O)=C9)C(O)=CC(O)=C78)C7=CC=C(O)C(O)=C7)C(O)=CC(O)=C56)C5=CC=C(O)C(O)=C5)C(O)=CC(O)=C34)C3
Inchi	InChI=1S/C75H62O30/c76-28-16-41(88)51-50(17-28)101-68(24-2-7-31(78)37(84)12-24)63(97)59(51)53-43(90)20-45(92)55-61(65(99)70(103-73(53)55)26-4-9-33(80)39(86)14-26)57-47(94)22-48(95)58-62(66(100)71(105-75(57)58)27-5-10-34(81)40(87)15-27)56-46(93)21-44(91)54
IUPAC	(2R,3R,4S)-2-(3,4-dihydroxyphenyl)-4-[(2R,3R)-2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-3,4-dihydro-2H-1-benzopyran-8-yl]-8-[(2R,3R,4R)-2-(3,4-dihydroxyphenyl)-8-[(2R,3R,4R)-2-(3,4-dihydroxyphenyl)-8-[(2R,3R,4R)-2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-3,4
Molecular Weight	1443.28
Pubchem Id	16129741
Chembl Id	CHEMBL592373

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

50310256

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	BXGT008053	Matrix metalloproteinase-9	reviewed	Enzyme	MMP9	-	39200	-	-
reviewed	BXGT006757	72 kDa type IV collagenase	reviewed	Enzyme	MMP2	-	43200	-	-

CHEMBL

CHEMBL592373

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
P08253	BXGT006757	72 kDa type IV collagenase	reviewed	Enzyme	MMP2	IC50	'='	43200	nM
P14780	BXGT008053	Matrix metalloproteinase-9	reviewed	Enzyme	MMP9	IC50	'='	39200	nM

Foods containing the compound

Foods

BXGF Id	Food Name	Scientific Name	Food Group
BXGF Id	Food Name	Scientific Name	Food Group
BXGF00050	Chinese cinnamon	Cinnamomum aromaticum	Herbs and Spices
BXGF00182	Cocoa bean	Theobroma cacao	Cocoa and cocoa products
BXGF00818	Herbs and Spices		Herbs and Spices
BXGF00899	Orthosphenia mexicana	Orthosphenia mexicana	Others
BXGF00933	Eupatorium gracile	Eupatorium gracile	Medicinal Plant
BXGF01452	Baccharis megapotamica	Baccharis megapotamica	Others
BXGF01646	Alstonia deplanchei	Alstonia deplanchei	Others
BXGF01753	Stevia mercedensis	Stevia mercedensis	Others
BXGF01861	Senecio latifolius	Senecio latifolius	Others
BXGF01926	Flemingia congesta	Flemingia congesta	Medicinal Plant
BXGF01950	Senecio rivularis	Senecio rivularis	Medicinal Plant
BXGF01972	Ficus simplicissima	Ficus simplicissima	Medicinal Plant
BXGF02063	Quercus dentata	Quercus dentata	Medicinal Plant
BXGF02114	Aconitum pseudohuiliense	Aconitum pseudohuiliense	Medicinal Plant
BXGF02178	Erigeron crispus	Erigeron crispus	Others
BXGF02229	Marrubium supinum	Marrubium supinum	Medicinal Plant
BXGF02260	Cacalia bicolor	Cacalia bicolor	Others
BXGF02279	Ceratozamia fuscoviridis	Ceratozamia fuscoviridis	Others
BXGF02292	Styrax perkinsiae	Styrax perkinsiae	Others
BXGF02339	Haplophyllum dauricum	Haplophyllum dauricum	Others
BXGF02360	Solanum elaeagnifolium	Solanum elaeagnifolium	Medicinal Plant
BXGF02430	Thuja standishii	Thuja standishii	Medicinal Plant
BXGF03352	Verbesina rupestris	Verbesina rupestris	Others
BXGF03839	Asteriscus graveolens	Asteriscus graveolens	Others
BXGF04123	Swinglea glutinosa	Swinglea glutinosa	Human Edible Plant
BXGF04239	Citrus glauca	Citrus glauca	Human Edible Plant
BXGF04831	Strychnos tabascana	Strychnos tabascana	Others
BXGF05278	Relhania pumila	Relhania pumila	Others
BXGF05312	Critonia quadrangularis	Critonia quadrangularis	Others
BXGF05529	Oxyanthus speciosus	Oxyanthus speciosus	Medicinal Plant
BXGF05854	Codium decorticatum	Codium decorticatum	Others
BXGF05877	Rheum tanguticum	Rheum tanguticum	Medicinal Plant
BXGF06154	Metalasia bolusii	Metalasia bolusii	Others
BXGF06173	Aconitum sachalinense	Aconitum sachalinense	Medicinal Plant
BXGF06292	Centrosema pascuorum	Centrosema pascuorum	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}