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Eryvarin D

PubChem CID: 15546808

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Compound Synonyms eryvarin D, CHEMBL1097045, 9-methoxy-10-(3-methylbut-2-enyl)-6H-(1)benzofuro(3,2-c)chromen-3-ol, 9-methoxy-10-(3-methylbut-2-enyl)-6H-[1]benzofuro[3,2-c]chromen-3-ol, BDBM50317434, 406676-79-7
Topological Polar Surface Area 51.8
Hydrogen Bond Donor Count 1.0
Heavy Atom Count 25.0
Isotope Atom Count 0.0
Molecular Complexity 500.0
Database Name cmaup_ingredients;npass_chem_all;pubchem
Defined Atom Stereocenter Count 0.0
Uniprot Id P10481, P0C6E9
Iupac Name 9-methoxy-10-(3-methylbut-2-enyl)-6H-[1]benzofuro[3,2-c]chromen-3-ol
Prediction Hob 1.0
Xlogp 5.1
Molecular Formula C21H20O4
Prediction Swissadme 0.0
Inchi Key BYZVMAQRPFEPSV-UHFFFAOYSA-N
Fcsp3 0.238095238095238
Logs -5.159
Rotatable Bond Count 3.0
Logd 4.287
Compound Name Eryvarin D
Prediction Hob Swissadme 0.0
Exact Mass 336.136
Formal Charge 0.0
Monoisotopic Mass 336.136
Hydrogen Bond Acceptor Count 4.0
Molecular Weight 336.4
Covalent Unit Count 1.0
Total Atom Stereocenter Count 0.0
Total Bond Stereocenter Count 0.0
Esol -5.3656994
Inchi InChI=1S/C21H20O4/c1-12(2)4-6-15-18(23-3)9-8-14-17-11-24-19-10-13(22)5-7-16(19)21(17)25-20(14)15/h4-5,7-10,22H,6,11H2,1-3H3
Smiles CC(=CCC1=C(C=CC2=C1OC3=C2COC4=C3C=CC(=C4)O)OC)C
Nring 4.0
Defined Bond Stereocenter Count 0.0