6-O-Isovaleryldihydrohelenalin

Representations & DB's id
ChEBI:	None
ChEMBL:	CHEMBL452752
PubChem:	14656908
IUPAC:	[(1S,3aR,5R,5aR,8aR,9S,9aR)-1,5,8a-trimethyl-2,8-dioxo-3a,4,5,5a,9,9a-hexahydro-1H-azuleno[6,5-b]furan-9-yl] 3-methylbutanoate
Standard InChI:	InChI=1S/C20H28O5/c1-10(2)8-16(22)25-18-17-12(4)19(23)24-14(17)9-11(3)13-6-7-15(21)20(13,18)5/h6-7,10-14,17-18H,8-9H2,1-5H3/t11-,12+,13+,14-,17-,18+,20+/m1/s1
Standard InChI Key:	XOSUIROVCFABAY-QUQQNCTQSA-N
SMILES:	CC(CC(=O)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)[C@H]2C)C

Molecular propeties
AlogP:	2.92
Hydrogen bonds acceptors:	5
Hydrogen bonds donors:	0
Rotatable bonds:	3
Number of rings:	3
Molecular Weight:	348.19
Topological polar surface area:	69.7
Number of aromatic rings:	0
Fsp3:	0.75
Number of carbons:	20

Plant sources

Part of plant	Plant name	Ref.
Plant	Arnica montana

In vitro data

Activity Type	Activity Value	Target Name	UniProt ID	Ref.