This website is for informational and educational purposes only. Please do not self-medicate; contact a medical professional for advice before administration. This website is for informational and educational purposes only. Please do not self-medicate; contact a medical professional for advice before administration.

Blestriarene B

PubChem CID: 442695

Connections displayed (default: 10).
Loading graph...

Compound Synonyms Blestriarene B, 127211-03-4, CIRRHOPETALANTHRIN, 1-(2,7-dihydroxy-4-methoxy-9,10-dihydrophenanthren-1-yl)-4-methoxyphenanthrene-2,7-diol, CHEBI:3141, CHEMBL369741, [1,1'-Biphenanthrene]-2,2',7,7'-tetrol, 9,10-dihydro-4,4'-dimethoxy-, (-)-, SCHEMBL1972650, DTXSID90331911, BDBM50160798, DA-61748, HY-142013, CS-0311723, D85193, Q27105951, 4,4'-Dimethoxy-9,10-dihydro-[1,1'-biphenanthrene]-2,2',7,7'-tetraol, [1,1'-Biphenanthrene]-2,2',7,7'-tetrol,9,10-dihydro-4,4'-dimethoxy-, (-)- (9CI), 4,4''''-Dimethoxy-9,10-dihydro-[1,1'''']biphenanthrenyl-2,7,2'''',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 762.0
Database Name cmaup_ingredients;npass_chem_all;pubchem
Defined Atom Stereocenter Count 0.0
Uniprot Id Q25270, n.a.
Iupac Name 1-(2,7-dihydroxy-4-methoxy-9,10-dihydrophenanthren-1-yl)-4-methoxyphenanthrene-2,7-diol
Prediction Hob 0.0
Xlogp 6.5
Molecular Formula C30H24O6
Prediction Swissadme 0.0
Inchi Key LCCDZCVHGDFKNQ-UHFFFAOYSA-N
Fcsp3 0.1333333333333333
Logs -7.426
Rotatable Bond Count 3.0
Logd 3.698
Compound Name Blestriarene B
Prediction Hob Swissadme 0.0
Exact Mass 480.157
Formal Charge 0.0
Monoisotopic Mass 480.157
Hydrogen Bond Acceptor Count 6.0
Molecular Weight 480.5
Covalent Unit Count 1.0
Total Atom Stereocenter Count 0.0
Total Bond Stereocenter Count 0.0
Esol -7.244343644444445
Inchi InChI=1S/C30H24O6/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/h3,5-7,9-14,31-34H,4,8H2,1-2H3
Smiles COC1=C2C(=C(C(=C1)O)C3=C4C=CC5=C(C4=C(C=C3O)OC)C=CC(=C5)O)CCC6=C2C=CC(=C6)O
Nring 6.0
Defined Bond Stereocenter Count 0.0