5-Methoxy-2-phenyl-4-benzopyrone
PubChem CID: 94525
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| Compound Synonyms | 5-Methoxyflavone, 42079-78-7, 5-methoxy-2-phenylchromen-4-one, 5-methoxy-2-phenyl-4h-chromen-4-one, 5-Methoxy-2-phenyl-4-benzopyrone, MFCD00016942, CHEMBL16685, 4H-1-Benzopyran-4-one, 5-methoxy-2-phenyl-, 5-Methoxy-2-phenyl-chromen-4-one, EINECS 255-652-0, ST069360, Oprea1_842256, Oprea1_859852, BIDD:ER0473, ghl.PD_Mitscher_leg0.1155, MEGxp0_001704, SCHEMBL1629391, ACon1_000175, DTXSID40194917, CHEBI:181154, 5-Methoxy-2-phenyl chromen-4-one, BDBM50296862, s4782, AKOS000599908, CCG-208437, FM55019, NCGC00142613-01, NCGC00142613-02, NCGC00142613-03, NCGC00180810-01, AS-62240, DA-70233, PD056554, HY-107790, CS-0030664, M2365, NS00056780, T72452, SR-05000002253, SR-05000002253-2, BRD-K81383664-001-01-2, 255-652-0 |
|---|---|
| Topological Polar Surface Area | 35.5 |
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 19.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 368.0 |
| Database Name | cmaup_ingredients;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Uniprot Id | Q05769, P10275, P04150, Q99714, B2RXH2, Q94696, P10636, P51450, P00352, P15428, P04637, P08684, Q9UBT6, Q96QE3, O42275, P81908, Q9NUW8 |
| Iupac Name | 5-methoxy-2-phenylchromen-4-one |
| Prediction Hob | 1.0 |
| Target Id | NPT153, NPT149, NPT48, NPT51, NPT94, NPT151, NPT539, NPT109 |
| Xlogp | 3.5 |
| Molecular Formula | C16H12O3 |
| Prediction Swissadme | 0.0 |
| Inchi Key | XRQSPUXANRGDAV-UHFFFAOYSA-N |
| Fcsp3 | 0.0625 |
| Logs | -4.949 |
| Rotatable Bond Count | 2.0 |
| Logd | 3.136 |
| Compound Name | 5-Methoxy-2-phenyl-4-benzopyrone |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 252.079 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 252.079 |
| Hydrogen Bond Acceptor Count | 3.0 |
| Molecular Weight | 252.26 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -3.3820256947368414 |
| Inchi | InChI=1S/C16H12O3/c1-18-13-8-5-9-14-16(13)12(17)10-15(19-14)11-6-3-2-4-7-11/h2-10H,1H3 |
| Smiles | COC1=CC=CC2=C1C(=O)C=C(O2)C3=CC=CC=C3 |
| Nring | 3.0 |
| Defined Bond Stereocenter Count | 0.0 |
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FOUND_INto/from Imperata Cylindrica (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 4. Outgoing r'ship
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