Sphaeropsidin A

Representations & DB's id
ChEBI:	CHEBI:69494
ChEMBL:	CHEMBL1834675
PubChem:	51361447
IUPAC:	(1R,2R,5R,9S,10S)-5-ethenyl-2,9-dihydroxy-5,11,11-trimethyl-16-oxatetracyclo[7.5.2.01,10.02,7]hexadec-6-ene-8,15-dione
Standard InChI:	InChI=1S/C20H26O5/c1-5-17(4)9-10-19(23)12(11-17)13(21)20(24)14-16(2,3)7-6-8-18(14,19)15(22)25-20/h5,11,14,23-24H,1,6-10H2,2-4H3/t14-,17-,18-,19+,20+/m0/s1
Standard InChI Key:	FEKFUWWVNCCROX-SQWSIXGCSA-N
SMILES:	C=C[C@@]1(C)CC[C@]2(C(=C1)C(=O)[C@@]1([C@@H]3[C@@]2(CCCC3(C)C)C(=O)O1)O)O

Molecular propeties
AlogP:	2.27
Hydrogen bonds acceptors:	5
Hydrogen bonds donors:	2
Rotatable bonds:	1
Number of rings:	4
Molecular Weight:	346.18
Topological polar surface area:	83.8
Number of aromatic rings:	0
Fsp3:	0.7
Number of carbons:	20

Plant sources

Part of plant	Plant name	Ref.
Plant	Lobelia inflata

In vitro data

Activity Type	Activity Value	Target Name	UniProt ID	Ref.
Potency	1778.3 nM	Ataxin-2	Q99700
Potency	15848.9 nM	Glucagon-like peptide 1 receptor	P43220