Isookanin
Basic information
- CAS
1036-49-3- Standard SMILES
O=C1C[C@@H](c2ccc(O)c(O)c2)Oc2c1ccc(O)c2O- InChIKey
ZPVNWCMRCGXRJD-ZDUSSCGKSA-N- Molecular formula
- C15H12O6
- Average molar mass
- 288.25 g/mol
- Monoisotopic mass
- 288.0633881
Overview
3',4',7,8-tetrahydroxyflavanone has been reported in Acacia confusa, Acacia melanoxylon, and other organisms with data available.
Names & identifiers
- Preferred name
- Isookanin
- IUPAC
- (2S)-2-(3,4-dihydroxyphenyl)-7,8-dihydroxy-2,3-dihydrochromen-4-one
- English name
- (S)-2-(3,4-Dihydroxyphenyl)-2,3-dihydro-7,8-dihydroxy-4H-1-benzopyran-4-one
- Molecular formula
- C15H12O6
- Molecular weight
- 288.25
Names & synonyms
Isookanin1036-49-3(2S)-2-(3,4-dihydroxyphenyl)-7,8-dihydroxy-2,3-dihydrochromen-4-oneJNW2J2TDC7RefChem:9237512-(3,4-dihydroxyphenyl)-7,8-dihydroxy-2,3-dihydrochromen-4-oneFlavanokanin(S)-2-(3,4-Dihydroxyphenyl)-2,3-dihydro-7,8-dihydroxy-4H-1-benzopyran-4-one(S)-2-(3,4-Dihydroxyphenyl)-7,8-dihydroxychroman-4-one(2S)-2-(3,4-dihydroxyphenyl)-7,8-dihydroxy-3,4-dihydro-2H-1-benzopyran-4-one4H-1-Benzopyran-4-one, 2-(3,4-dihydroxyphenyl)-2,3-dihydro-7,8-dihydroxy-, (2S)-Flavanookanin
Show more names
skin,snake,bites,diabetes,HSV,mellitus,insects,Herpes simplex virus,cancer,anti-viral,rashes,Clinacanthus nutans,varicella-zoster,Inhibitor,inhibit,Isookanin,virus,diarrhoea
IsookanenIsookanin, 10 mM in DMSOorb1297323CHEMBL4747567SCHEMBL26034914DTXSID301365278HY-N7677TN1788
Database identifiers
- CAS
1036-49-3- PubChem CID
- 91196552
- DTXSID
DTXSID301365278- ChEMBL
CHEMBL4747567- UNII
- JNW2J2TDC7
- Nikkaji
- J14.984E
Properties
Computed structural properties
- XLogP
- 1.5
- Topological polar surface area
- 107 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 1
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 400
Physicochemical properties
- Melting point
- 126 · 126-127 °C
- Boiling point
- 627.9 · 627.9±55.0 °C(Predicted)
- Density
- 1.586 · 1.586±0.06 g/cm3(Predicted)
- storage temp.
- -20 °C · Store at -20°C
- pka
- 7.54 · 7.54±0.40(Predicted)
- form
- Solid
- color
- Off-white to light yellow
- InChI
- InChI=1S/C15H12O6/c16-9-3-1-7(5-12(9)19)13-6-11(18)8-2-4-10(17)14(20)15(8)21-13/h1-5,13,16-17,19-20H,6H2/t13-/m0/s1
- InChIKey
- ZPVNWCMRCGXRJD-ZDUSSCGKSA-N
- SMILES
- [C@H]1(C2=CC=C(O)C(O)=C2)OC2=C(O)C(O)=CC=C2C(=O)C1
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319
- Precautionary statements
- 501 · P501-P270-P264-P280-P302+P352-P337+P313-P305+P351+P338-P362+P364-P332+P313-P301+P312+P330
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319
- Precautionary statements
- P501-P270-P264-P280-P302+P352-P337+P313-P305+P351+P338-P362+P364-P332+P313-P301+P312+P330
Chemistry & industry
Applications
UsesIsookanin can be used for the research of various illnesses including cancers, skin rashes, snake and insects bites, diabetes mellitus, diarrhoea. Isookanin acts as an anti-viral agent against HSV and varicella-zoster virus (VZV). Antioxidant activity[1][2].
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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