Oxyimperatorin
PubChem CID: 182251
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| Compound Synonyms | Oxyimperatorin, 35740-18-2, Prangenin, (+/-)-Heraclenin, 9-[(3,3-dimethyloxiran-2-yl)methoxy]furo[3,2-g]chromen-7-one, 9-[(3,3-Dimethyl-2-oxiranyl)methoxy]-7H-furo[3,2-g][1]benzopyran-7-one, NSC92228, NSC-92228, 9-((3,3-Dimethyloxiran-2-yl)methoxy)-7H-furo[3,2-g]chromen-7-one, 9-[(3,3-dimethyloxiran-2-yl)methoxy]-7H-furo[3,2-g]chromen-7-one, Heracleninprangenin, ()-Heraclenin, Oxyimperatorin (Standard), NCIOpen2_005807, MLS000574828, CHEMBL346814, MEGxp0_000085, SCHEMBL19346337, ACon0_000555, HY-N4273R, DTXSID00957146, CTJZWFCPUDPLME-UHFFFAOYSA-N, HY-N4273, AKOS037515165, NCGC00160222-01, DA-76521, FH137870, MS-24081, NCI60_042040, SMR000156242, CS-0032606, G12994, Q3785096, B2703-178289, 7H-Furo(3,2-g)(1)benzopyran-7-one, 9-((3,3-dimethyloxiranyl)methoxy)-, 9-[(3,3-Dimethyl-2-oxiranyl)methoxy]-7H-furo[3,2-g]chromen-7-one #, 9-[(3,3-Dimethyloxiran-2-yl)methoxy]-7H-furo[3,2-g][1]benzopyran-7-one |
|---|---|
| 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 | 0.0 |
| Uniprot Id | P46063, O97447, P00811, Q9NUW8 |
| Iupac Name | 9-[(3,3-dimethyloxiran-2-yl)methoxy]furo[3,2-g]chromen-7-one |
| Prediction Hob | 1.0 |
| Target Id | NPT47 |
| Xlogp | 2.2 |
| Molecular Formula | C16H14O5 |
| Prediction Swissadme | 1.0 |
| Inchi Key | CTJZWFCPUDPLME-UHFFFAOYSA-N |
| Fcsp3 | 0.3125 |
| Logs | -4.229 |
| Rotatable Bond Count | 3.0 |
| Logd | 2.848 |
| Compound Name | Oxyimperatorin |
| 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)11(21-16)8-19-15-13-10(5-6-18-13)7-9-3-4-12(17)20-14(9)15/h3-7,11H,8H2,1-2H3 |
| Smiles | CC1(C(O1)COC2=C3C(=CC4=C2OC=C4)C=CC(=O)O3)C |
| Nring | 4.0 |
| Defined Bond Stereocenter Count | 0.0 |
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