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Psorospermin

PubChem CID: 126451

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Compound Synonyms Psorospermin, 74045-97-9, (2R)-10-hydroxy-5-methoxy-2-[(2R)-2-methyloxiran-2-yl]-1,2-dihydrofuro[2,3-c]xanthen-6-one, CHEBI:8617, CHEMBL369474, C10090, psorospermine, AC1L2QCN, SCHEMBL12312454, DTXSID60995463, 6H-Furo(2,3-c)xanthen-6-one, 1,2-dihydro-10-hydroxy-5-methoxy-2-(2-methyloxiranyl)-, Q27108114, 10-Hydroxy-5-methoxy-2-(2-methyloxiran-2-yl)-1,2-dihydro-6H-furo[2,3-c]xanthen-6-one, (2r)-10-hydroxy-5-methoxy-2-[(2r)-2-methyloxiran-2-yl]-1,2-dihydro-6h-furo[2,3-c]xanthen-6-one
Topological Polar Surface Area 77.5
Hydrogen Bond Donor Count 1.0
Heavy Atom Count 25.0
Isotope Atom Count 0.0
Molecular Complexity 566.0
Database Name cmaup_ingredients;npass_chem_all;pubchem
Defined Atom Stereocenter Count 2.0
Uniprot Id n.a.
Iupac Name (2R)-10-hydroxy-5-methoxy-2-[(2R)-2-methyloxiran-2-yl]-1,2-dihydrofuro[2,3-c]xanthen-6-one
Prediction Hob 1.0
Xlogp 2.5
Molecular Formula C19H16O6
Prediction Swissadme 1.0
Inchi Key BBNDPXOGORGETN-AUUYWEPGSA-N
Fcsp3 0.3157894736842105
Logs -4.913
Rotatable Bond Count 2.0
Logd 2.582
Compound Name Psorospermin
Prediction Hob Swissadme 1.0
Exact Mass 340.095
Formal Charge 0.0
Monoisotopic Mass 340.095
Hydrogen Bond Acceptor Count 6.0
Molecular Weight 340.3
Covalent Unit Count 1.0
Total Atom Stereocenter Count 2.0
Total Bond Stereocenter Count 0.0
Esol -4.166552200000001
Inchi InChI=1S/C19H16O6/c1-19(8-23-19)14-6-10-12(24-14)7-13(22-2)15-16(21)9-4-3-5-11(20)17(9)25-18(10)15/h3-5,7,14,20H,6,8H2,1-2H3/t14-,19-/m1/s1
Smiles C[C@@]1(CO1)[C@H]2CC3=C4C(=C(C=C3O2)OC)C(=O)C5=C(O4)C(=CC=C5)O
Nring 5.0
Defined Bond Stereocenter Count 0.0