rutin Report issue

Botanical Experimental
AACT ChEMBL DrugBank Drug Central KEGG MeSH PubChem

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Chemistry

Mol. Mass

610.5175

ALogP

-1.69

Rule of 5

No

Rule of 3

No
Details
  • SMILES: C[C@@H]1O[C@@H](OC[C@H]2O[C@@H](OC3=C(OC4=C(C3=O)C(O)=CC(O)=C4)C5=CC=C(O)C(O)=C5)[C@H](O)[C@@H](O)[C@@H]2O)[C@H](O)[C@H](O)[C@H]1O
  • InChIKey: IKGXIBQEEMLURG-NVPNHPEKSA-N
    1S/C27H30O16/c1-8-17(32)20(35)22(37)26(40-8)39-7-15-18(33)21(36)23(38)27(42-15)43-25-19(34)16-13(31)5-10(28)6-14(16)41-24(25)9-2-3-11(29)12(30)4-9/h2-6,8,15,17-18,20-23,26-33,35-38H,7H2,1H3/t8-,15+,17-,18+,20+,21-,22+,23+,26+,27-/m0/s1
  • Chirality: Single Stereoisomer
  • Inorganic: No
  • Polymer: No

Sources

CHEMBL226335   ChEMBL
rutin

CHEMBL3182320   ChEMBL
troxerutin

5G06TVY3R7   NCATS
rutin *

Hydroxyethylrutoside   Wikipedia

Rutin   Wikipedia

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