Hesperidin | MMP-AC0021

	Compound Name :	Hesperidin
	Compound Class :	Flavonoid
	Synonyms :	hesperidin; 520-26-3; Cirantin; Hesperidoside; Hesper bitabs; Hesperetin-rutinosid; Hesperidine; UNII-E750O06Y6O; CCRIS 3940; (S)-(-)-Hesperidin; EINECS 208-288-1; NSC 44184; BRN 0075140; Hesperidin, (2S)-; Hesperetin 7-rutinoside; MLS001304066;
	Compound Extracted from :	Hesperidin is extracted / reported from 4 Plant(s) of Melghat Flora as below MH067: Vigna radiata (L.) R. Wilczek; MH132: Sonchus oleraceus L.; MT039: Bauhinia variegata L.; MT068: Cordia dichotoma Forster. f., Prodr.;

	Molecular Formula :	C28H34O15
	Molecular Weight :	610.565
	InChi Key :	QUQPHWDTPGMPEX-QJBIFVCTSA-N
	IUPAC :	(2S)-5-hydroxy-2-(3-hydroxy-4-methoxyphenyl)-7-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxymethyl]oxan-2-yl]oxy-2,3-dihydrochromen-4-one
	InChi :	InChI=1S/C28H34O15/c1-10-21(32)23(34)25(36)27(40-10)39-9-19-22(33)24(35)26(37)28(43-19)41-12-6-14(30)20-15(31)8-17(42-18(20)7-12)11-3-4-16(38-2)13(29)5-11/h3-7,10,17,19,21-30,32-37H,8-9H2,1-2H3/t10-,17-,19+,21-,22+,23+,24-,25+,26+,27+,28+/m0/s1
	Hydrogen Bond Donor count :	8
	Hydrogen Bond Acceptor count :	15
	Rotational Bond count :	7
	TPSA :	234
	LogP Value :	-1.1

	Lipinski Rule of Five :	No
	Ghose Filter :	No
	Veber Filter :	No
	Muegge Filter :	No

	PubChem CID :	10621
	Drugbank ID :	DB04703
	Super Natural :	000520263
	CTD :	D006569
	HIT :	C0338
	NCI-60 GI50 data :	-

	Reference(s) :	https://www.ncbi.nlm.nih.gov/pubmed/25130191

Compound_ID	Cell Lines	Cancer Type	IC50 Value	EC50 Value	ED50 Value	GI50 Value	References
MMP-AC0021	CCRF-HSB-2	Haematopoietic and Lymphoid tissue	>40 µM	-	-	-	10380632
MMP-AC0021	A549	Lung	>40 µM	-	-	-	10380632
MMP-AC0021	B16 melanoma 4A5	Skin	>40 µM	-	-	-	10380632
MMP-AC0021	TGBC11TKB	Stomach	>40 µM	-	-	-	10380632

Compound_ID	Target	Gene_Name	Gene_ID	Cancer	Cell_lines	IC50 Value	EC50 Value	ED50 Value	GI50 Value	Remarks	References
MMP-AC0021	ODC1	ornithine decarboxylase 1	4953	Colon carcinogenesis	-	-	-	-	-	Flavonoids inhibit the growth of colonic ACF with more severe dysplastic or atypical hyperplastic epithelium (which may have a true preneoplastic nature) and suppressed progression of these lesions through adenoma to malignant neoplasm.Hesperidine either in alone or in combination with diosmin, found to block the induction of ODC in the colonic mucosa.	9163681

MMP-AC0021 : Hesperidin