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1,5,6-Trimethoxyphenanthrene-2,7-diol

PubChem CID: 11983285

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Compound Synonyms Confusarin, 108909-02-0, 1,5,6-trimethoxyphenanthrene-2,7-diol, 2,7-Phenanthrenediol, 1,5,6-trimethoxy-, CRH455ZW4X, UNII-CRH455ZW4X, 1,5,6-trimethoxy-2,7-phenanthrenediol, SCHEMBL5804536, CHEMBL3634642, DTXSID801031838, HY-N11998, DA-62454, 2,7-dihydroxy-3,4,8-trimethoxyphenanthrene, CS-0890425, F92964, Q18348703
Prediction Swissadme 0.0
Topological Polar Surface Area 68.2
Hydrogen Bond Donor Count 2.0
Inchi Key JHNVCKNCEVZGGC-UHFFFAOYSA-N
Fcsp3 0.1764705882352941
Rotatable Bond Count 3.0
Heavy Atom Count 22.0
Compound Name 1,5,6-Trimethoxyphenanthrene-2,7-diol
Prediction Hob Swissadme 0.0
Exact Mass 300.1
Formal Charge 0.0
Monoisotopic Mass 300.1
Isotope Atom Count 0.0
Molecular Complexity 376.0
Hydrogen Bond Acceptor Count 5.0
Molecular Weight 300.3
Database Name cmaup_ingredients;npass_chem_all;pubchem
Covalent Unit Count 1.0
Uniprot Id n.a.
Defined Atom Stereocenter Count 0.0
Iupac Name 1,5,6-trimethoxyphenanthrene-2,7-diol
Total Atom Stereocenter Count 0.0
Total Bond Stereocenter Count 0.0
Prediction Hob 1.0
Esol -4.261731090909091
Inchi InChI=1S/C17H16O5/c1-20-15-11-5-4-9-8-13(19)16(21-2)17(22-3)14(9)10(11)6-7-12(15)18/h4-8,18-19H,1-3H3
Smiles COC1=C(C=CC2=C1C=CC3=CC(=C(C(=C32)OC)OC)O)O
Xlogp 3.6
Defined Bond Stereocenter Count 0.0
Molecular Formula C17H16O5