vatiquinone Report issue

Small molecule Experimental
AACT ChEMBL DrugBank MeSH PubChem

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Chemistry

Mol. Mass

440.67

ALogP

7.52

Rule of 5

No

Rule of 3

No
Details
  • SMILES: CC(=CCC\C(=C\CC\C(=C\CC[C@@](C)(O)CCC1=C(C)C(=O)C(=C(C)C1=O)C)\C)\C)C
  • InChIKey: LNOVHERIIMJMDG-XZXLULOTSA-N
    InChI=1S/C29H44O3/c1-20(2)12-9-13-21(3)14-10-15-22(4)16-11-18-29(8,32)19-17-26-25(7)27(30)23(5)24(6)28(26)31/h12,14,16,32H,9-11,13,15,17-19H2,1-8H3/b21-14+,22-16+/t29-/m1/s1
  • Chirality: Single Stereoisomer
  • Inorganic: No
  • Polymer: No

Sources

CHEMBL1812161   ChEMBL
vatiquinone

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