Silydianin

ScientificNameLabel

Silydianin
PHCD compound ID :	2536
Chemical Names :	Silydianin
Molecular Formula :	C25H22O10
Molecular Weight :	482.121297

More Details :

Names & Synonyms:
Smiles:	COc1cc(ccc1O)[C@@H]1[C@H]2CO[C@@]3([C@H]2C(=C[C@H]1C3=O)[C@H]1Oc2cc(O)cc(c2C(=O)[C@@H]1O)O)O
InChi :	InChI=1S/C25H22O10/c1-33-16-4-9(2-3-14(16)27)18-11-7-12(20-13(18)8-34-25(20,32)24(11)31)23-22(30)21(29)19-15(28)5-10(26)6-17(19)35-23/h2-7,11,13,18,20,22-23,26-28,30,32H,8H2,1H3/t11-,13-,18+,20+,22+,23-,25-/m1/s1
InChi Key :	InChIKey=CYGIJEJDYJOUAN-JSGXPVSSSA-N
PubChem ID :	11982272

Rotatable bond count :	3	Rule of five :	0
Hydrogen bond acceptor count :	10	Ionization potential :	8.897856
Hydrogen bond donor count :	5	Electric dipole moment :	5.782
XLogP :	-0.81	VDW volume :	409.191461
Molecular weight :	482.121297	HOMO-LUMO gap :	8.165000

Herb list :

Milk thistle, St. Mary thistle, Holy thistle - Silybum marianum - خار مریم

Refrences & Litretures:


292. Journal:'Cancer Res' Year:'2005' Volume:'65' Page:'4448' DOI:'' Title:'Milk Thistle and Prostate Cancer: Differential Effects of Pure Flavonolignans from Silybum marianum on Antiproliferative End Points in Human Prostate Carcinoma Cells'

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