Viscosalactone B | MMP-AC0224

	Compound Name :	Viscosalactone B
	Compound Class :	Steroids
	Synonyms :	Viscosalactone B;(3beta,4beta,5beta,6beta,22R)-3,4,27-trihydroxy-5,6:22,26-diepoxyergost-24-ene-1,26-dione
	Compound Extracted from :	Viscosalactone B is extracted / reported from 1 Plant(s) of Melghat Flora as below MH172: Physalis longifolia Nutt.;

	Molecular Formula :	57403080
	Molecular Weight :	488.6
	InChi Key :	WVMINIQLCDVTLH-IVFYTCICSA-N
	IUPAC :	(1S,2R,5S,6S,7R,9R,11S,12S,15R,16S)-5,6-dihydroxy-15-[(1S)-1-[(2R)-5-(hydroxymethyl)-4-methyl-6-oxo-2,3-dihydropyran-2-yl]ethyl]-2,16-dimethyl-8-oxapentacyclo[9.7.0.02,7.07,9.012,16]octadecan-3-one
	InChi :	InChI=1S/C28H40O7/c1-13-9-21(34-25(33)16(13)12-29)14(2)17-5-6-18-15-10-23-28(35-23)24(32)20(30)11-22(31)27(28,4)19(15)7-8-26(17,18)3/h14-15,17-21,23-24,29-30,32H,5-12H2,1-4H3/t14-,15-,17+,18-,19-,20-,21+,23+,24-,26+,27-,28-/m0/s1
	Hydrogen Bond Donor count :	3
	Hydrogen Bond Acceptor count :	7
	Rotational Bond count :	3
	TPSA :	117
	LogP Value :	2.8

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

	PubChem CID :	57403080
	Drugbank ID :	-
	Super Natural :	-
	CTD :	-
	HIT :	-
	NCI-60 GI50 data :	-

	Reference(s) :	https://pubchem.ncbi.nlm.nih.gov/compound/57403080

Compound_ID	Cell Lines	Cancer Type	IC50 Value	EC50 Value	ED50 Value	GI50 Value	References
MMP-AC0224	SF-268	Brain	0.26ą0.13 ľg/ml	-	-	-	14575818
MMP-AC0224	MCF-7	Breast	0.28ą0.08 ľg/ml	-	-	-	14575818
MMP-AC0224	HCT-116	Colon	0.42ą0.28 ľg/ml	-	-	-	14575818
MMP-AC0224	NCI-H460	Lung	0.22ą0.07 ľg/ml	-	-	-	14575818

Compound_ID	Target	Gene_Name	Gene_ID	Cancer	Cell_lines	IC50 Value	EC50 Value	ED50 Value	GI50 Value	Remarks	References
MMP-AC0224	NFKB1	nuclear factor of kappa light polypeptide gene enhancer in B-cells 1	4790	Breast adenocarcinoma	MCF-7	-	-	-	-	withanolide suppressed the expression of TNF-induced NF-kappaB-regulated antiapoptotic (inhibitor of apoptosis protein 1, Bfl-1/A1, and FADD-like interleukin-1beta-converting enzyme-inhibitory protein) and metastatic (cyclooxygenase-2 and intercellular adhesion molecule-1) gene products, enhanced the apoptosis induced by TNF and chemotherapeutic agents, and suppressed cellular TNF-induced invasion and receptor activator of NF-kappaB ligand-induced osteoclastogenesis. Overall, our results indicate that withanolides inhibit activation of NF-kappaB and NF-kappaB-regulated gene expression, which may explain the ability of withanolides to enhance apoptosis and inhibit invasion and osteoclastogenesis.	16818501

MMP-AC0224 : Viscosalactone B