BioLiP

PDB

BioLiP

PDB CCD ID:

1O8

Number of entries in BioLiP:

Chemical formula:

C20 H22 O2

InChI:

InChI=1S/C20H22O2/c1-15(7-5-8-16(2)14-20(21)22)13-18-11-6-10-17-9-3-4-12-19(17)18/h3-5,7-9,12-14H,6,10-11H2,1-2H3,(H,21,22)/b8-5+,15-7-,16-14+,18-13+

InChIKey:

PPGNMFUMZSAZCW-VOYUZAMQSA-N

SMILES:

Software	SMILES
CACTVS 3.370	CC(/C=C/C=C(C)\C=C1/CCCc2ccccc12)=C\C(O)=O
OpenEye OEToolkits 1.7.6	CC(=CC(=O)O)C=CC=C(C)C=C1CCCc2c1cccc2
CACTVS 3.370	CC(C=CC=C(C)C=C1CCCc2ccccc12)=CC(O)=O
ACDLabs 12.01	O=C(O)\C=C(\C=C\C=C(/C=C2/c1ccccc1CCC2)C)C
OpenEye OEToolkits 1.7.6	C/C(=C\C(=O)O)/C=C/C=C(/C)\C=C\1/CCCc2c1cccc2

Name:

(2E,4E,6Z,8E)-8-(3,4-dihydronaphthalen-1(2H)-ylidene)-3,7-dimethylocta-2,4,6-trienoic acid

ChEMBL:

CHEMBL3098771

DrugBank:

DB12316

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).