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BioLiP

PDB CCD ID: 0CC
Number of entries in BioLiP: 2
Chemical formula: C25 H30 O4
InChI: InChI=1S/C25H30O4/c1-20(2)15-6-9-24-12-21(3)10-14-18(27)29-13-25(14,24)23(5,19(21)28)11-16(24)22(15,4)8-7-17(20)26/h7-8,10,15-16H,6,9,11-13H2,1-5H3/t15-,16-,21+,22-,23-,24-,25+/m0/s1
InChIKey: IUSHUGXYEUUODT-ZLRFBPIASA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.7C[C@@]12C[C@H]3[C@]4(C=CC(=O)C([C@@H]4CC[C@@]35[C@@]16COC(=O)C6=C[C@](C5)(C2=O)C)(C)C)C
CACTVS 3.385CC1(C)[CH]2CC[C]34C[C]5(C)C=C6C(=O)OC[C]36[C](C)(C[CH]4[C]2(C)C=CC1=O)C5=O
OpenEye OEToolkits 2.0.7CC1(C2CCC34CC5(C=C6C3(COC6=O)C(C5=O)(CC4C2(C=CC1=O)C)C)C)C
CACTVS 3.385CC1(C)[C@@H]2CC[C@@]34C[C@@]5(C)C=C6C(=O)OC[C@@]36[C@@](C)(C[C@H]4[C@@]2(C)C=CC1=O)C5=O
Name:Andiconin D
Reference:
  • Chengxin Zhang, Xi Zhang, Peter L 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).

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