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.

Oxypeucedanin, (R)-

PubChem CID: 928465

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

Compound Synonyms (+)-Oxypeucedanin, Prangolarlin, Oxypeucedanin, (R)-, YMX5YR54P9, PRANGOLARIN, 3173-02-2, UNII-YMX5YR54P9, OXYPEUCEDANIN, (+)-, (R)-(+)-OXYPEUCEDANIN, CHEBI:70473, HSDB 8480, 4-(((2R)-3,3-DIMETHYL-2-OXIRANYL)METHOXY)-7H-FURO(3,2-G)(1)BENZOPYRAN-7-ONE, 7H-FURO(3,2-G)(1)BENZOPYRAN-7-ONE, 4-(((2R)-3,3-DIMETHYL-2-OXIRANYL)METHOXY)-, 7H-Furo(3,2-g)(1)benzopyran-7-one, 4-((3,3-dimethyloxiranyl)methoxy)-, (R)-, 4-[[(2R)-3,3-Dimethyl-2-oxiranyl]methoxy]-7H-furo[3,2-g][1]benzopyran-7-one, MLS000574915, CHEMBL1609439, DTXSID601346554, HMS2224M16, 4-[[(2R)-3,3-dimethyloxiran-2-yl]methoxy]furo[3,2-g]chromen-7-one, NCGC00247534-01, SMR000156208, Q27138810
Topological Polar Surface Area 61.2
Hydrogen Bond Donor Count 0.0
Heavy Atom Count 21.0
Isotope Atom Count 0.0
Molecular Complexity 471.0
Database Name cmaup_ingredients;npass_chem_all;pubchem
Defined Atom Stereocenter Count 1.0
Uniprot Id P02545, P00352, Q96KQ7, Q9NUW8
Iupac Name 4-[[(2R)-3,3-dimethyloxiran-2-yl]methoxy]furo[3,2-g]chromen-7-one
Prediction Hob 1.0
Target Id NPT483, NPT94
Xlogp 2.6
Molecular Formula C16H14O5
Prediction Swissadme 1.0
Inchi Key QTAGQHZOLRFCBU-CYBMUJFWSA-N
Fcsp3 0.3125
Logs -4.541
Rotatable Bond Count 3.0
Logd 3.109
Compound Name Oxypeucedanin, (R)-
Prediction Hob Swissadme 1.0
Exact Mass 286.084
Formal Charge 0.0
Monoisotopic Mass 286.084
Hydrogen Bond Acceptor Count 5.0
Molecular Weight 286.28
Covalent Unit Count 1.0
Total Atom Stereocenter Count 1.0
Total Bond Stereocenter Count 0.0
Esol -2.4420498380952385
Inchi InChI=1S/C16H14O5/c1-16(2)13(21-16)8-19-15-9-3-4-14(17)20-12(9)7-11-10(15)5-6-18-11/h3-7,13H,8H2,1-2H3/t13-/m1/s1
Smiles CC1([C@H](O1)COC2=C3C=CC(=O)OC3=CC4=C2C=CO4)C
Nring 4.0
Defined Bond Stereocenter Count 0.0