2-(4-Hydroxyphenyl)-3,6-dimethoxy-8,8-dimethyl-4H,8H-benzo[1,2-b:3,4-b']dipyran-4-one
PubChem CID: 131753080
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| Compound Synonyms | 2-(4-Hydroxyphenyl)-3,6-dimethoxy-8,8-dimethyl-4H,8H-benzo[1,2-b:3,4-b']dipyran-4-one |
|---|---|
| Topological Polar Surface Area | 74.2 |
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 28.0 |
| Description | Constituent of the fruits of tangerine (Citrus reticulata cv. blanco). 2-(4-Hydroxyphenyl)-3,6-dimethoxy-8,8-dimethyl-4H,8H-benzo[1,2-b:3,4-b']dipyran-4-one is found in citrus. |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 673.0 |
| Database Name | fooddb_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 2-(4-hydroxyphenyl)-3,5-dimethoxy-8,8-dimethylpyrano[2,3-h]chromen-4-one |
| Nih Violation | False |
| Class | Flavonoids |
| Xlogp | 3.9 |
| Superclass | Phenylpropanoids and polyketides |
| Is Pains | False |
| Subclass | Pyranoflavonoids |
| Molecular Formula | C22H20O6 |
| Inchi Key | VNNMTQJSNKAONW-UHFFFAOYSA-N |
| Rotatable Bond Count | 3.0 |
| Synonyms | 2-(4-Hydroxyphenyl)-3,6-dimethoxy-8,8-dimethyl-4H,8H-benzo[1,2-b:3,4-b']dipyran-4-one, 4'-Hydroxy-3,6-dimethoxy-6'',6''-dimethylpyrano[2,3:7,8]flavone |
| Substituent Name | Pyranoflavonoid, Methoxyflavonoid skeleton, 5-methoxyflavonoid-skeleton, 3-methoxyflavonoid-skeleton, Monohydroxyflavonoid, Hydroxyflavonoid, Flavone, 4'-hydroxyflavonoid, Pyranochromene, 2,2-dimethyl-1-benzopyran, Chromone, 1-benzopyran, Benzopyran, Anisole, Pyranone, Phenol, Alkyl aryl ether, Benzenoid, Pyran, Monocyclic benzene moiety, Heteroaromatic compound, Vinylogous ester, Oxacycle, Organoheterocyclic compound, Ether, Hydrocarbon derivative, Organooxygen compound, Aromatic heteropolycyclic compound |
| Compound Name | 2-(4-Hydroxyphenyl)-3,6-dimethoxy-8,8-dimethyl-4H,8H-benzo[1,2-b:3,4-b']dipyran-4-one |
| Kingdom | Organic compounds |
| Exact Mass | 380.126 |
| Formal Charge | 0.0 |
| Brenk Violation | False |
| Monoisotopic Mass | 380.126 |
| Hydrogen Bond Acceptor Count | 6.0 |
| Molecular Weight | 380.4 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Inchi | InChI=1S/C22H20O6/c1-22(2)10-9-14-15(28-22)11-16(25-3)17-18(24)21(26-4)19(27-20(14)17)12-5-7-13(23)8-6-12/h5-11,23H,1-4H3 |
| Smiles | CC1(C=CC2=C3C(=C(C=C2O1)OC)C(=O)C(=C(O3)C4=CC=C(C=C4)O)OC)C |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Citrus Reticulata (Plant) Rel Props:Source_db:fooddb_chem_all