4,6-Di-O-Acetylchamissonolide

Representations & DB's id
ChEBI:	None
ChEMBL:	CHEMBL2380799
PubChem:	73356470
IUPAC:	[(3aR,5R,5aS,6S,8R,8aS,9S,9aR)-8,9-diacetyloxy-5,8a-dimethyl-1-methylidene-2-oxo-4,5,5a,6,7,8,9,9a-octahydro-3aH-azuleno[6,5-b]furan-6-yl] acetate
Standard InChI:	InChI=1S/C21H28O8/c1-9-7-14-17(10(2)20(25)29-14)19(28-13(5)24)21(6)16(27-12(4)23)8-15(18(9)21)26-11(3)22/h9,14-19H,2,7-8H2,1,3-6H3/t9-,14-,15+,16-,17-,18-,19+,21-/m1/s1
Standard InChI Key:	ZXJZGYQBAFUERW-BRLYISDVSA-N
SMILES:	CC(=O)O[C@H]1C[C@H]([C@@]2([C@@H]1[C@H](C)C[C@@H]1[C@H]([C@@H]2OC(=O)C)C(=C)C(=O)O1)C)OC(=O)C

Molecular propeties
AlogP:	1.95
Hydrogen bonds acceptors:	8
Hydrogen bonds donors:	0
Rotatable bonds:	3
Number of rings:	3
Molecular Weight:	408.18
Topological polar surface area:	105
Number of aromatic rings:	0
Fsp3:	0.714
Number of carbons:	21

Plant sources

Part of plant	Plant name	Ref.
Plant	Arnica chamissonis

In vitro data

Activity Type	Activity Value	Target Name	UniProt ID	Ref.