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Epheneranthol C

PubChem CID: 46871898

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Compound Synonyms Epheneranthol C, CHEMBL1085501, 2,3,5-trihydroxy-4-methoxy-9,10-dihydrophenanthrene, 4-METHOXY-9,10-DIHYDROPHENANTHRENE-2,3,5-TRIOL
Topological Polar Surface Area 69.9
Hydrogen Bond Donor Count 3.0
Heavy Atom Count 19.0
Isotope Atom Count 0.0
Molecular Complexity 321.0
Database Name cmaup_ingredients;npass_chem_all;pubchem
Defined Atom Stereocenter Count 0.0
Iupac Name 4-methoxy-9,10-dihydrophenanthrene-2,3,5-triol
Prediction Hob 1.0
Xlogp 2.7
Molecular Formula C15H14O4
Prediction Swissadme 0.0
Inchi Key LOICISWPCCICIA-UHFFFAOYSA-N
Fcsp3 0.2
Logs -3.442
Rotatable Bond Count 1.0
Logd 2.812
Compound Name Epheneranthol C
Prediction Hob Swissadme 0.0
Exact Mass 258.089
Formal Charge 0.0
Monoisotopic Mass 258.089
Hydrogen Bond Acceptor Count 4.0
Molecular Weight 258.269
Covalent Unit Count 1.0
Total Atom Stereocenter Count 0.0
Total Bond Stereocenter Count 0.0
Esol -3.5751610210526317
Inchi InChI=1S/C15H14O4/c1-19-15-13-9(7-11(17)14(15)18)6-5-8-3-2-4-10(16)12(8)13/h2-4,7,16-18H,5-6H2,1H3
Smiles COC1=C2C(=CC(=C1O)O)CCC3=C2C(=CC=C3)O
Nring 3.0
Defined Bond Stereocenter Count 0.0