SEQ2FUN

BioLiP

PDB CCD ID: NOM
Number of entries in BioLiP: 1
Chemical formula: C16 H12 O6
InChI: InChI=1S/C16H12O6/c1-6-11-13(16-9(21-6)5-10(18)22-16)14(19)7-3-2-4-8(17)12(7)15(11)20/h2-4,6,9,16-17H,5H2,1H3/t6-,9-,16-/m0/s1
InChIKey: XUWPJKDMEZSVTP-UOSCCXBLSA-N
SMILES:
SoftwareSMILES
CACTVS 3.341C[CH]1O[CH]2CC(=O)O[CH]2C3=C1C(=O)c4c(O)cccc4C3=O
CACTVS 3.341C[C@@H]1O[C@H]2CC(=O)O[C@@H]2C3=C1C(=O)c4c(O)cccc4C3=O
ACDLabs 10.04O=C1C3=C(C(=O)c2c1cccc2O)C(OC4CC(=O)OC34)C
OpenEye OEToolkits 1.5.0C[C@H]1C2=C(C3[C@@H](O1)CC(=O)O3)C(=O)c4cccc(c4C2=O)O
OpenEye OEToolkits 1.5.0CC1C2=C(C3C(O1)CC(=O)O3)C(=O)c4cccc(c4C2=O)O
Name:7-HYDROXY-5-METHYL-3,3A,5,11B-TETRAHYDRO-1,4-DIOXA-CYCLOPENTA[A]ANTHRACENE-2,6,11-TRIONE;
NANAOMYCIN D
DrugBank: DB01668
ZINC: ZINC000004983927
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).