Ligupersin A

Representations & DB's id
ChEBI:	CHEBI:70613
ChEMBL:	CHEMBL1077718
PubChem:	11876038
IUPAC:	7-[[(1R,4aS,6R,8aS)-6-hydroxy-2,5,5,8a-tetramethyl-4-oxo-4a,6,7,8-tetrahydro-1H-naphthalen-1-yl]methoxy]chromen-2-one
Standard InChI:	InChI=1S/C24H28O5/c1-14-11-18(25)22-23(2,3)20(26)9-10-24(22,4)17(14)13-28-16-7-5-15-6-8-21(27)29-19(15)12-16/h5-8,11-12,17,20,22,26H,9-10,13H2,1-4H3/t17-,20-,22-,24+/m1/s1
Standard InChI Key:	HIQLOIOGTRDMIW-QSOCRCLWSA-N
SMILES:	CC1=CC(=O)[C@H]2[C@@]([C@@H]1COc1ccc3c(c1)oc(=O)cc3)(C)CC[C@H](C2(C)C)O

Molecular propeties
AlogP:	4.12
Hydrogen bonds acceptors:	5
Hydrogen bonds donors:	1
Rotatable bonds:	3
Number of rings:	4
Molecular Weight:	396.19
Topological polar surface area:	72.8
Number of aromatic rings:	2
Fsp3:	0.5
Number of carbons:	24

Plant sources

Part of plant	Plant name	Ref.
Plant	Ferula assa-foetida

In vitro data

Activity Type	Activity Value	Target Name	UniProt ID	Ref.