oleandrin Report issue

Small molecule Experimental
AACT ChEMBL DrugBank Drug Central PubChem

Back

Chemistry

Mol. Mass

562.7

ALogP

3.03

Rule of 5

No

Rule of 3

No
Details
  • SMILES: CC(=O)O[C@H]1C[C@]2(O)[C@@H]3CC[C@@H]4C[C@@H](O[C@H]5C[C@H](O)[C@@H](O)[C@H](C)O5)CC[C@]4(C)[C@H]3CC[C@]2(C)[C@H]1C1=CC(=O)OC1
  • InChIKey: QWTDCDSWAVIWER-VSBFTHSSSA-N
    InChI=1S/C31H46O9/c1-16-28(35)23(33)13-26(38-16)40-20-7-9-29(3)19(12-20)5-6-22-21(29)8-10-30(4)27(18-11-25(34)37-15-18)24(39-17(2)32)14-31(22,30)36/h11,16,19-24,26-28,33,35-36H,5-10,12-15H2,1-4H3/t16-,19+,20-,21-,22+,23-,24-,26-,27-,28-,29-,30+,31-/m0/s1
  • Chirality: Single Stereoisomer
  • Inorganic: No
  • Polymer: No

Sources

CHEMBL1075789   ChEMBL
oleandrin

CHEMBL4285883   ChEMBL
oleandrin

Feedback

Data collection and curation is an ongoing process for CDEK - if you notice any information here to be missing or incorrect, please let us know! When possible, please include a source URL (we verify all data prior to inclusion).

Report issue