genipin Report issue

Small molecule Experimental

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Chemistry

Mol. Mass

226.23

ALogP

-0.05

Rule of 5

Yes

Rule of 3

No
Details
  • SMILES: COC(=O)C1=CO[C@@H](O)[C@@H]2C(CO)=CC[C@H]12
  • InChIKey: AZKVWQKMDGGDSV-BCMRRPTOSA-N
    InChI=1S/C11H14O5/c1-15-10(13)8-5-16-11(14)9-6(4-12)2-3-7(8)9/h2,5,7,9,11-12,14H,3-4H2,1H3/t7-,9-,11-/m1/s1
  • Chirality: None
  • Inorganic: No
  • Polymer: No

Sources

CHEMBL459016   ChEMBL
genipin

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