7-Methoxyflavone
PubChem CID: 466268
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| Compound Synonyms | 7-Methoxyflavone, 22395-22-8, 7-methoxy-2-phenyl-4H-chromen-4-one, 7-methoxy-2-phenylchromen-4-one, 4H-1-Benzopyran-4-one, 7-methoxy-2-phenyl-, Flavone, 7-methoxy-, 7-Methoxy-2-phenyl-chromen-4-one, 7-Methoxy-2-phenylchromone, XK561AP5UR, 7-Methoxy-2-phenyl-4H-benzopyran-4-one, NSC-741744, UNII-XK561AP5UR, 7-Methoxy Flavone, MFCD00017462, Oprea1_076281, BIDD:ER0421, CHEMBL16782, F3385-6145, MEGxp0_001706, SCHEMBL1373009, ACon1_000207, 7-METHOXYFLAVONE [VANDF], DTXSID80332790, CHEBI:192603, HY-N8487, BDBM50591918, LMPK12110021, NSC741744, STL100263, AKOS001617181, CCG-106707, DS-4825, FM68014, MB00278, NSC 741744, NCGC00180781-01, NCGC00180781-02, PD143277, DB-045897, CS-0144725, EU-0071703, M1423, NS00015828, D70148, AB00133543-03, SR-01000434441, A1-00200, SR-01000434441-1, BRD-K00654887-001-01-5, Q27293878, InChI=1/C16H12O3/c1-18-12-7-8-13-14(17)10-15(19-16(13)9-12)11-5-3-2-4-6-11/h2-10H,1H |
|---|---|
| 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 | P16116, Q05769, P04150, P10275, P27338, O95271 |
| Iupac Name | 7-methoxy-2-phenylchromen-4-one |
| Prediction Hob | 1.0 |
| Target Id | NPT588 |
| Xlogp | 3.9 |
| Molecular Formula | C16H12O3 |
| Prediction Swissadme | 0.0 |
| Inchi Key | QKNDCRMJDZLFEG-UHFFFAOYSA-N |
| Fcsp3 | 0.0625 |
| Logs | -5.343 |
| Rotatable Bond Count | 2.0 |
| Logd | 3.144 |
| Compound Name | 7-Methoxyflavone |
| 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/c1-18-12-7-8-13-14(17)10-15(19-16(13)9-12)11-5-3-2-4-6-11/h2-10H,1H3 |
| Smiles | COC1=CC2=C(C=C1)C(=O)C=C(O2)C3=CC=CC=C3 |
| Nring | 3.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Anodendron Affine (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 2. Outgoing r'ship
FOUND_INto/from Cedrela Salvadorensis (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 3. Outgoing r'ship
FOUND_INto/from Garcinia Cambogia (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 4. Outgoing r'ship
FOUND_INto/from Hertia Cheirifolia (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 5. Outgoing r'ship
FOUND_INto/from Licaria Chrysophylla (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 6. Outgoing r'ship
FOUND_INto/from Ormosia Hosiei (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 7. Outgoing r'ship
FOUND_INto/from Ornithoglossum Viride (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 8. Outgoing r'ship
FOUND_INto/from Petasites Laevigatus (Plant) Rel Props:Source_db:npass_chem_all - 9. Outgoing r'ship
FOUND_INto/from Rubia Tetragona (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 10. Outgoing r'ship
FOUND_INto/from Schizanthus Tricolor (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 11. Outgoing r'ship
FOUND_INto/from Sphaeranthus Confertifolius (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all