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Shinflavanone is a member of flavanones.
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PubChem CID | 197678 |
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Structure | |
Molecular Formula |
C25H26O4 |
Synonyms |
Shinflavanone 157414-03-4 (2S)-4'-Hydroxy-3'-prenyl-6'',6''-dimethylpyrano[2'',3'':7,8]flavanone (2S)-2-[4-hydroxy-3-(3-methylbut-2-enyl)phenyl]-8,8-dimethyl-2,3-dihydropyrano[2,3-f]chromen-4-one CHEMBL590635 |
Molecular Weight |
390.5 |
Shinflavanone is a member of flavanones. |
Chemical Structure Depiction
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(2S)-2-[4-hydroxy-3-(3-methylbut-2-enyl)phenyl]-8,8-dimethyl-2,3-dihydropyrano[2,3-f]chromen-4-one
InChI=1S/C25H26O4/c1-15(2)5-6-16-13-17(7-9-20(16)26)23-14-21(27)18-8-10-22-19(24(18)28-23)11-12-25(3,4)29-22/h5,7-13,23,26H,6,14H2,1-4H3/t23-/m0/s1
NEIURIYDQMKXIG-QHCPKHFHSA-N
CC(=CCC1=C(C=CC(=C1)C2CC(=O)C3=C(O2)C4=C(C=C3)OC(C=C4)(C)C)O)C
CC(=CCC1=C(C=CC(=C1)[C@@H]2CC(=O)C3=C(O2)C4=C(C=C3)OC(C=C4)(C)C)O)C
C25H26O4
157414-03-4
DTXSID80166259
Q83035477
shinflavanone
Shinflavanone
157414-03-4
(2S)-4'-Hydroxy-3'-prenyl-6'',6''-dimethylpyrano[2'',3'':7,8]flavanone
(2S)-2-[4-hydroxy-3-(3-methylbut-2-enyl)phenyl]-8,8-dimethyl-2,3-dihydropyrano[2,3-f]chromen-4-one
CHEMBL590635
SCHEMBL14100974
DTXSID80166259
CHEBI:175117
BDBM50267182
LMPK12140058
(2S)-2-[4-hydroxy-3-(3-methylbut-2-enyl)phenyl]-8,8-dimethyl-2,3-dihydropyrano[2,3-]chromen-4-one
Property Name | Property Value | Reference |
---|---|---|
Molecular Weight | 390.5 | Computed by PubChem 2.1 (PubChem release 2021.05.07) |
XLogP3-AA | 5.4 | Computed by XLogP3 3.0 (PubChem release 2021.05.07) |
Hydrogen Bond Donor Count | 1 | Computed by Cactvs 3.4.8.18 (PubChem release 2021.05.07) |
Hydrogen Bond Acceptor Count | 4 | Computed by Cactvs 3.4.8.18 (PubChem release 2021.05.07) |
Rotatable Bond Count | 3 | Computed by Cactvs 3.4.8.18 (PubChem release 2021.05.07) |
Exact Mass | 390.18310931 | Computed by PubChem 2.1 (PubChem release 2021.05.07) |
Monoisotopic Mass | 390.18310931 | Computed by PubChem 2.1 (PubChem release 2021.05.07) |
Topological Polar Surface Area | 55.8 Ų | Computed by Cactvs 3.4.8.18 (PubChem release 2021.05.07) |
Heavy Atom Count | 29 | Computed by PubChem |
Formal Charge | 0 | Computed by PubChem |
Complexity | 674 | Computed by Cactvs 3.4.8.18 (PubChem release 2021.05.07) |
Isotope Atom Count | 0 | Computed by PubChem |
Defined Atom Stereocenter Count | 1 | Computed by PubChem |
Undefined Atom Stereocenter Count | 0 | Computed by PubChem |
Defined Bond Stereocenter Count | 0 | Computed by PubChem |
Undefined Bond Stereocenter Count | 0 | Computed by PubChem |
Covalently-Bonded Unit Count | 1 | Computed by PubChem |
Compound Is Canonicalized | Yes | Computed by PubChem (release 2021.05.07) |
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