SEQ2FUN

BioLiP

PDB CCD ID: HN8
Number of entries in BioLiP: 0
Chemical formula: C17 H19 N O4
InChI: InChI=1S/C17H19NO4/c1-20-11-2-3-17-12-6-14-13(21-9-22-14)4-10(12)7-18(8-16(17)19)15(17)5-11/h2-4,6,11,15-16,19H,5,7-9H2,1H3/t11-,15+,16+,17+/m1/s1
InChIKey: YGPRSGKVLATIHT-HSHDSVGOSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.6COC1CC2C3(C=C1)c4cc5c(cc4CN2CC3O)OCO5
CACTVS 3.385CO[C@H]1C[C@@H]2[N@@]3C[C@H](O)[C@@]2(C=C1)c4cc5OCOc5cc4C3
OpenEye OEToolkits 2.0.6CO[C@H]1C[C@H]2[C@]3(C=C1)c4cc5c(cc4CN2C[C@@H]3O)OCO5
CACTVS 3.385CO[CH]1C[CH]2[N]3C[CH](O)[C]2(C=C1)c4cc5OCOc5cc4C3
Name:Haemanthamine;
Haemanthamin;
Natalensin;
3-Epicrinamine
ChEMBL: CHEMBL401114
ZINC: ZINC000002004156
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).