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Kanzonol Z is a member of flavanones.
Please contact us for price. contact@biofargo.com
| PubChem CID | 10319154 |
|---|---|
| Structure |
 
|
| Molecular Formula |
C25H26O5 |
| Synonyms |
Kanzonol Z CHEMBL4075014 CHEBI:175253 (2R,3R)-3-hydroxy-2-[4-hydroxy-3-(3-methylbut-2-enyl)phenyl]-8,8-dimethyl-2,3-dihydropyrano[2,3-]chromen-4-one |
| Molecular Weight |
406.5 |
|
|
|
1 Structures
1.12D Structure
|
Chemical Structure Depiction
|
 |
|---|
2 Names and Identifiers
2.1 Computed Descriptors
2.1.1 IUPAC Name(2R,3R)-3-hydroxy-2-[4-hydroxy-3-(3-methylbut-2-enyl)phenyl]-8,8-dimethyl-2,3-dihydropyrano[2,3-f]chromen-4-one
2.1.2 InChI
InChI=1S/C25H26O5/c1-14(2)5-6-15-13-16(7-9-19(15)26)23-22(28)21(27)18-8-10-20-17(24(18)29-23)11-12-25(3,4)30-20/h5,7-13,22-23,26,28H,6H2,1-4H3/t22-,23+/m0/s1
2.1.3 InChIKey
IOXLCTZITMJUKD-XZOQPEGZSA-N
2.1.4 Canonical SMILES
CC(=CCC1=C(C=CC(=C1)C2C(C(=O)C3=C(O2)C4=C(C=C3)OC(C=C4)(C)C)O)O)C
2.1.5 Isomeric SMILES
CC(=CCC1=C(C=CC(=C1)[C@@H]2[C@H](C(=O)C3=C(O2)C4=C(C=C3)OC(C=C4)(C)C)O)O)C
2.2 Molecular Formula
C25H26O5
2.3 Synonyms
2.3.1Depositor-Supplied Synonyms
3 Chemical and Physical Properties
3.1 Computed Properties
| Property Name | Property Value | Reference |
|---|---|---|
| Molecular Weight | 406.5 | Computed by PubChem 2.1 (PubChem release 2021.05.07) |
| XLogP3-AA | 4.8 | Computed by XLogP3 3.0 (PubChem release 2019.06.18) |
| Hydrogen Bond Donor Count | 2 | Computed by Cactvs 3.4.6.11 (PubChem release 2019.06.18) |
| Hydrogen Bond Acceptor Count | 5 | Computed by Cactvs 3.4.6.11 (PubChem release 2019.06.18) |
| Rotatable Bond Count | 3 | Computed by Cactvs 3.4.6.11 (PubChem release 2019.06.18) |
| Exact Mass | 406.17802393 | Computed by PubChem 2.1 (PubChem release 2021.05.07) |
| Monoisotopic Mass | 406.17802393 | Computed by PubChem 2.1 (PubChem release 2021.05.07) |
| Topological Polar Surface Area | 76 Ų | Computed by Cactvs 3.4.6.11 (PubChem release 2019.06.18) |
| Heavy Atom Count | 30 | Computed by PubChem |
| Formal Charge | 0 | Computed by PubChem |
| Complexity | 706 | Computed by Cactvs 3.4.6.11 (PubChem release 2019.06.18) |
| Isotope Atom Count | 0 | Computed by PubChem |
| Defined Atom Stereocenter Count | 2 | 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 2019.01.04) |
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