BioLiP

PDB

BioLiP

PDB CCD ID:

1YL

Number of entries in BioLiP:

Chemical formula:

C18 H14 O3

InChI:

InChI=1S/C18H14O3/c1-9-4-3-5-12-11(9)6-7-13-15(12)17(20)16(19)14-10(2)8-21-18(13)14/h3-7,10H,8H2,1-2H3/t10-/m0/s1

InChIKey:

HARGZZNYNSYSGJ-JTQLQIEISA-N

SMILES:

Software	SMILES
CACTVS 3.385	C[C@H]1COC2=C1C(=O)C(=O)c3c2ccc4c(C)cccc34
CACTVS 3.385	C[CH]1COC2=C1C(=O)C(=O)c3c2ccc4c(C)cccc34
ACDLabs 12.01	O=C2c3c(C=1OCC(C=1C2=O)C)ccc4c(cccc34)C
OpenEye OEToolkits 1.7.6	Cc1cccc2c1ccc3c2C(=O)C(=O)C4=C3OC[C@@H]4C
OpenEye OEToolkits 1.7.6	Cc1cccc2c1ccc3c2C(=O)C(=O)C4=C3OCC4C

Name:

Dihydrotanshinone I;
(1R)-1,6-dimethyl-1,2-dihydrophenanthro[1,2-b]furan-10,11-dione

ChEMBL:

CHEMBL227075

ZINC:

ZINC000002585546

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).