4'-O-Methylochnaflavone
PubChem CID: 5384799
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| Compound Synonyms | 4'-O-Methylochnaflavone, 49619-87-6, Ochnaflavone 4'-methyl ether, NSC363258, 2-[4-[5-(5,7-dihydroxy-4-oxochromen-2-yl)-2-methoxyphenoxy]phenyl]-5,7-dihydroxychromen-4-one, NSC-363258, 2-(4-(5-(5,7-Dihydroxy-4-oxo-4H-chromen-2-yl)-2-methoxyphenoxy)phenyl)-5,7-dihydroxy-4H-chromen-4-one, 4H-1-Benzopyran-4-one, 2-[4-[5-(5,7-dihydroxy-4-oxo-4H-1-benzopyran-2-yl)-2-methoxyphenoxy]phenyl]-5,7-dihydroxy-, 2-[4-[5-(5,7-Dihydroxy-4-oxo-4H-1-benzopyran-2-yl)-2-methoxyphenoxy]phenyl]-5,7-dihydroxy-4H-1-benzopyran-4-one, 2-{4-[5-(5,7-Dihydroxy-4-oxo-4H-1-benzopyran-2-yl)-2-methoxyphenoxy]phenyl}-5,7-dihydroxy-4H-1-benzopyran-4-one, 2-{4-[5-(5,7-DIHYDROXY-4-OXOCHROMEN-2-YL)-2-METHOXYPHENOXY]PHENYL}-5,7-DIHYDROXYCHROMEN-4-ONE, 4H-1-Benzopyran-4-one, 2-(4-(5-(5,7-dihydroxy-4-oxo-4H-1-benzopyran-2-yl)-2-methoxyphenoxy)phenyl)-5,7-dihydroxy-, NSC 363258, 4-O-Methylochnaflavone, 8CC5WCJ7A9, CHEMBL188147, DTXSID30964303, CHEBI:228893, HY-N4300, ZBA61987, C31H20O10, AKOS037515028, DA-49753, MS-30091, PD125261, CS-0032679, F82189, 2-[4-[5-(5,7-dihydroxy-4-oxo-chromen-2-yl)-2-methoxy-phenoxy]phenyl]-5,7-dihydroxy-chromen-4-one |
|---|---|
| Topological Polar Surface Area | 152.0 |
| Hydrogen Bond Donor Count | 4.0 |
| Heavy Atom Count | 41.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 1050.0 |
| Database Name | cmaup_ingredients;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Uniprot Id | n.a. |
| Iupac Name | 2-[4-[5-(5,7-dihydroxy-4-oxochromen-2-yl)-2-methoxyphenoxy]phenyl]-5,7-dihydroxychromen-4-one |
| Prediction Hob | 0.0 |
| Xlogp | 5.6 |
| Molecular Formula | C31H20O10 |
| Prediction Swissadme | 0.0 |
| Inchi Key | PRQWQWSKFNQAOG-UHFFFAOYSA-N |
| Fcsp3 | 0.032258064516129 |
| Logs | -4.584 |
| Rotatable Bond Count | 5.0 |
| Logd | 2.474 |
| Compound Name | 4'-O-Methylochnaflavone |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 552.106 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 552.106 |
| Hydrogen Bond Acceptor Count | 10.0 |
| Molecular Weight | 552.5 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -6.058205175609758 |
| Inchi | InChI=1S/C31H20O10/c1-38-24-7-4-16(26-14-23(37)31-21(35)10-18(33)12-29(31)41-26)8-27(24)39-19-5-2-15(3-6-19)25-13-22(36)30-20(34)9-17(32)11-28(30)40-25/h2-14,32-35H,1H3 |
| Smiles | COC1=C(C=C(C=C1)C2=CC(=O)C3=C(C=C(C=C3O2)O)O)OC4=CC=C(C=C4)C5=CC(=O)C6=C(C=C(C=C6O5)O)O |
| Nring | 6.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Acacia Aulacocarpa (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 2. Outgoing r'ship
FOUND_INto/from Anemone Flaccida (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 3. Outgoing r'ship
FOUND_INto/from Ardisia Neriifolia (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 4. Outgoing r'ship
FOUND_INto/from Aspidosperma Subincanum (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 5. Outgoing r'ship
FOUND_INto/from Cryptocarya Aschersoniana (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 6. Outgoing r'ship
FOUND_INto/from Eupatorium Argentinum (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 7. Outgoing r'ship
FOUND_INto/from Guatteria Boliviana (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 8. Outgoing r'ship
FOUND_INto/from Juniperus Brevifolia (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 9. Outgoing r'ship
FOUND_INto/from Lonicera Japonica (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 10. Outgoing r'ship
FOUND_INto/from Peritassa Compta (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 11. Outgoing r'ship
FOUND_INto/from Psiadia Dentata (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 12. Outgoing r'ship
FOUND_INto/from Rheedia Acuminata (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all