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Blestriarene A

PubChem CID: 11317652

Connections displayed (default: 10).
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Compound Synonyms BLESTRIARENE A, 126721-53-7, CHEMBL564527, SCHEMBL1973641, HY-N10821A, CS-0996484, D85192, 4,4'-Dimethoxy-9,9',10,10'-tetrahydro-[1,1'-biphenanthrene]-2,2',7,7'-tetraol
Topological Polar Surface Area 99.4
Hydrogen Bond Donor Count 4.0
Heavy Atom Count 36.0
Isotope Atom Count 0.0
Molecular Complexity 700.0
Database Name cmaup_ingredients;npass_chem_all;pubchem
Defined Atom Stereocenter Count 0.0
Uniprot Id n.a.
Iupac Name 1-(2,7-dihydroxy-4-methoxy-9,10-dihydrophenanthren-1-yl)-4-methoxy-9,10-dihydrophenanthrene-2,7-diol
Prediction Hob 0.0
Xlogp 5.9
Molecular Formula C30H26O6
Prediction Swissadme 0.0
Inchi Key OZZPAAPLZANUHM-UHFFFAOYSA-N
Fcsp3 0.2
Logs -7.494
Rotatable Bond Count 3.0
Logd 3.611
Compound Name Blestriarene A
Prediction Hob Swissadme 0.0
Exact Mass 482.173
Formal Charge 0.0
Monoisotopic Mass 482.173
Hydrogen Bond Acceptor Count 6.0
Molecular Weight 482.5
Covalent Unit Count 1.0
Total Atom Stereocenter Count 0.0
Total Bond Stereocenter Count 0.0
Esol -6.850331733333335
Inchi InChI=1S/C30H26O6/c1-35-25-13-23(33)29(21-7-3-15-11-17(31)5-9-19(15)27(21)25)30-22-8-4-16-12-18(32)6-10-20(16)28(22)26(36-2)14-24(30)34/h5-6,9-14,31-34H,3-4,7-8H2,1-2H3
Smiles COC1=C2C(=C(C(=C1)O)C3=C4CCC5=C(C4=C(C=C3O)OC)C=CC(=C5)O)CCC6=C2C=CC(=C6)O
Nring 6.0
Defined Bond Stereocenter Count 0.0