BioLiP

PDB

BioLiP

PDB CCD ID:

AIY

Number of entries in BioLiP:

Chemical formula:

C18 H16 O7

InChI:

InChI=1S/C18H16O7/c1-6-14(22)12(8(3)20)16-13(15(6)23)18(4)10(25-16)5-9(21)11(7(2)19)17(18)24/h5,21-23H,1-4H3/t18-/m0/s1

InChIKey:

WEYVVCKOOFYHRW-SFHVURJKSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.7	Cc1c(c(c2c(c1O)C3(C(=CC(=C(C3=O)C(=O)C)O)O2)C)C(=O)C)O
OpenEye OEToolkits 2.0.7	Cc1c(c(c2c(c1O)[C@@]3(C(=CC(=C(C3=O)C(=O)C)O)O2)C)C(=O)C)O
CACTVS 3.385	CC(=O)C1=C(O)C=C2Oc3c(C(C)=O)c(O)c(C)c(O)c3[C@@]2(C)C1=O
CACTVS 3.385	CC(=O)C1=C(O)C=C2Oc3c(C(C)=O)c(O)c(C)c(O)c3[C]2(C)C1=O

Name:

(9bR)-2,6-diethanoyl-8,9b-dimethyl-3,7,9-tris(oxidanyl)dibenzofuran-1-one;
(+)-Usnic acid;
(+)-Usniacin

ChEMBL:

CHEMBL367881

ZINC:

ZINC000053007738

Reference:

Chengxin Zhang, Xi Zhang, Lydia Freddolino, and Yang Zhang. BioLiP2: an updated structure database for biologically relevent ligand-protein interactions, Nucleic Acids Research, gkad630 (2023).

Jianyi Yang, Ambrish Roy, and Yang Zhang. BioLiP: a semi-manually curated database for biologically relevant ligand-protein interactions, Nucleic Acids Research, 41: D1096-D1103 (2013) (download the PDF file).