| PDB CCD ID: | ADL |
| Number of entries in BioLiP: | 1 |
| Chemical formula: | C16 H12 O5 |
| InChI: | InChI=1S/C16H12O5/c17-11-3-1-2-8-6-9-4-5-10(7-12(18)19)15(20)14(9)16(21)13(8)11/h1-5,17,20H,6-7H2,(H,18,19) |
| InChIKey: | IXLRLZOYKJERRA-UHFFFAOYSA-N |
| SMILES: | | Software | SMILES |
|---|
| ACDLabs 10.04 | O=C(O)Cc3c(O)c2C(=O)c1c(O)cccc1Cc2cc3 | | OpenEye OEToolkits 1.5.0 | c1cc2c(c(c1)O)C(=O)c3c(ccc(c3O)CC(=O)O)C2 | | CACTVS 3.341 | OC(=O)Cc1ccc2Cc3cccc(O)c3C(=O)c2c1O |
|
| Name: | (1,8-DIHYDROXY-9-OXO-9,10-DIHYDRO-ANTHRACEN-2-YL)-ACETIC ACID;
ACETYL DITHRANOL |
| ChEMBL: | CHEMBL321113 |
| DrugBank: | DB02019 |
| ZINC: | ZINC000006528316 |
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