Helenalinisobutyrate

Representations & DB's id
ChEBI:	None
ChEMBL:	CHEMBL364038
PubChem:	9996862
IUPAC:	[(3aR,5R,5aR,8aR,9S,9aR)-5,8a-dimethyl-1-methylidene-2,8-dioxo-3a,4,5,5a,9,9a-hexahydroazuleno[6,5-b]furan-9-yl] 2-methylpropanoate
Standard InChI:	InChI=1S/C19H24O5/c1-9(2)17(21)24-16-15-11(4)18(22)23-13(15)8-10(3)12-6-7-14(20)19(12,16)5/h6-7,9-10,12-13,15-16H,4,8H2,1-3,5H3/t10-,12+,13-,15-,16+,19+/m1/s1
Standard InChI Key:	SKAOENNHESXSCC-SVAVSBTGSA-N
SMILES:	O=C(C(C)C)O[C@H]1[C@H]2[C@@H](C[C@H]([C@H]3[C@@]1(C)C(=O)C=C3)C)OC(=O)C2=C

Molecular propeties
AlogP:	2.45
Hydrogen bonds acceptors:	5
Hydrogen bonds donors:	0
Rotatable bonds:	2
Number of rings:	3
Molecular Weight:	332.16
Topological polar surface area:	69.7
Number of aromatic rings:	0
Fsp3:	0.632
Number of carbons:	19

Plant sources

Part of plant	Plant name	Ref.
Plant	Arnica montana

In vitro data

Activity Type	Activity Value	Target Name	UniProt ID	Ref.
Others	20 nM	Nuclear factor NF-kappa-B p65 subunit	Q04206