PDB CCD ID: | 1YL |
Number of entries in BioLiP: | 2 |
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 |