3-O-Acetylgreenwayodendrin

Representations & DB's id
ChEBI:	None
ChEMBL:	CHEMBL1083629
PubChem:	46891355
IUPAC:	[(1R,12R,13S,16S,18R)-1,13,17,17-tetramethyl-2-azapentacyclo[10.8.0.02,10.03,8.013,18]icosa-3,5,7,9-tetraen-16-yl] acetate
Standard InChI:	InChI=1S/C25H33NO2/c1-16(27)28-22-11-12-24(4)20(23(22,2)3)10-13-25(5)21(24)15-18-14-17-8-6-7-9-19(17)26(18)25/h6-9,14,20-22H,10-13,15H2,1-5H3/t20-,21+,22-,24-,25+/m0/s1
Standard InChI Key:	DRMMGUOJBQDCMO-LJDQNPOQSA-N
SMILES:	CC(=O)O[C@H]1CC[C@]2([C@H](C1(C)C)CC[C@@]1([C@@H]2Cc2n1c1c(c2)cccc1)C)C

Molecular propeties
AlogP:	5.7
Hydrogen bonds acceptors:	3
Hydrogen bonds donors:	0
Rotatable bonds:	1
Number of rings:	5
Molecular Weight:	379.25
Topological polar surface area:	31.2
Number of aromatic rings:	2
Fsp3:	0.64
Number of carbons:	25

Plant sources

Part of plant	Plant name	Ref.
Plant	Veronica officinalis

In vitro data

Activity Type	Activity Value	Target Name	UniProt ID	Ref.