Capparisine

ScientificNameLabel

Capparisine
PHCD compound ID :	5154
Chemical Names :	Capparisine
Molecular Formula :	C26H31N3O5
Molecular Weight :	465.226371

More Details :

Names & Synonyms:
Smiles:	COc1cc2ccc1/C=C/C(=O)NCCCCNCCCNC(=O)/C=C/c1cc(O2)c(O)cc1
InChi :	InChI=1S/C26H31N3O5/c1-33-23-18-21-9-7-20(23)8-12-26(32)28-15-3-2-13-27-14-4-16-29-25(31)11-6-19-5-10-22(30)24(17-19)34-21/h5-12,17-18,27,30H,2-4,13-16H2,1H3,(H,28,32)(H,29,31)/b11-6+,12-8+
InChi Key :	InChIKey=VBNXJXPZYHLUPM-DECBNBDHSA-N
PubChem ID :

Rotatable bond count :	1	Rule of five :	0
Hydrogen bond acceptor count :	8	Ionization potential :	8.928897
Hydrogen bond donor count :	4	Electric dipole moment :	2.193
XLogP :	1.568	VDW volume :	449.95951
Molecular weight :	465.226371	HOMO-LUMO gap :	8.186000

Herb list :

Caper berry, Kureel tree - Capparis decidua - کلیر

Refrences & Litretures:


818. Journal:'International Journal of Phytomedicine' Year:'2010' Volume:'2' Page:'10' DOI:'10.5138/ijpm.2010.0975.0185.02002' Title:'Phytochemical and pharmacological Potential of Kair (Capparis Decidua)'

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