calanolide a Report issue

Small molecule Experimental
AACT DrugBank PubChem

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Chemistry

Mol. Mass

370.45

ALogP

4.38

Rule of 5

Yes

Rule of 3

No
Details
  • SMILES: CCCc1cc(=O)oc2c3c(c4c(c12)OC(C)(C)C=C4)OC(C)C(C)C3O
  • InChIKey: NIDRYBLTWYFCFV-UHFFFAOYSA-N
    InChI=1S/C22H26O5/c1-6-7-13-10-15(23)26-21-16(13)20-14(8-9-22(4,5)27-20)19-17(21)18(24)11(2)12(3)25-19/h8-12,18,24H,6-7H2,1-5H3
  • Chirality: Achiral Molecule
  • Inorganic: No
  • Polymer: No

Sources

CHEMBL270362   ChEMBL
calanolide a

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