(E)-3-(3',5'-dimethoxy-4'-hydroxy-benzylidene)-2-indolinone

ScientificNameLabel

(E)-3-(3',5'-dimethoxy-4'-hydroxy-benzylidene)-2-indolinone
PHCD compound ID :	4728
Chemical Names :	(E)-3-(3',5'-dimethoxy-4'-hydroxy-benzylidene)-2-indolinone
Molecular Formula :	C17H15N1O4
Molecular Weight :	297.100108

More Details :

Names & Synonyms:
Smiles:	COc1cc(/C=C/2\C(=O)Nc3c2cccc3)cc(c1O)OC
InChi :	InChI=1S/C17H15NO4/c1-21-14-8-10(9-15(22-2)16(14)19)7-12-11-5-3-4-6-13(11)18-17(12)20/h3-9,19H,1-2H3,(H,18,20)/b12-7-
InChi Key :	InChIKey=YSERLISPSDGHNH-GHXNOFRVSA-N
PubChem ID :

Rotatable bond count :	3	Rule of five :	0
Hydrogen bond acceptor count :	5	Ionization potential :	8.521425
Hydrogen bond donor count :	2	Electric dipole moment :	1.971
XLogP :	1.46	VDW volume :	268.784819
Molecular weight :	297.100108	HOMO-LUMO gap :	7.454000

Herb list :

Woad - Isatis tinctoria - وسمه

Refrences & Litretures:


750. Journal:'Phytochemistry' Year:'2009' Volume:'70' Page:'924' DOI:'10.1016/j.phytochem.2009.04.019' Title:'A comprehensive metabolite profiling of Isatis tinctoria leaf extracts'

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