Basic information
- CAS
50656-75-2- Standard SMILES
COc1cc2oc(=O)ccc2c(O)c1O- InChIKey
ICFLIFNKWPXOAM-UHFFFAOYSA-N- Molecular formula
- C10H8O5
- Average molar mass
- 208.17 g/mol
- Monoisotopic mass
- 208.03717335
Overview
isofraxetin has been reported in Rhamnus disperma, Pelargonium reniforme, and Haplophyllum obtusifolium with data available.
Names & identifiers
- Preferred name
- Isofraxetin
- IUPAC
- 5,6-dihydroxy-7-methoxychromen-2-one
- English name
- 2H-1-Benzopyran-2-one,5,6-dihydroxy-7-methoxy-(9CI)
- Molecular formula
- C10H8O5
- Molecular weight
- 208.17
Names & synonyms
Isofraxetin50656-75-2UNII-AC41B525YCAC41B525YC2H-1-Benzopyran-2-one, 5,6-dihydroxy-7-methoxy-RefChem:1493445,6-DIHYDROXY-7-METHOXYCHROMEN-2-ONE5,6-Dihydroxy-7-methoxy-2H-chromen-2-one5,6-dihydroxy-7-methoxycoumarinCHEMBL3894520DB-270172Q27273858
Show more names
2H-1-Benzopyran-2-one,5,6-dihydroxy-7-methoxy-(9CI)
Database identifiers
- CAS
50656-75-2- PubChem CID
- 10104491
- ChEMBL
CHEMBL3894520- UNII
- AC41B525YC
- Nikkaji
- J1.226.335J
Properties
Computed structural properties
- XLogP
- 1.2
- Topological polar surface area
- 76 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 1
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 288
Physicochemical properties
- FDA UNII
- 41 B525YC · AC41B525YC
Chemistry & industry
Upstream & downstream products
Downstream products
Suppliers1 total
杭州摩库生物医药科技有限公司+86-057181025280; +8617767106207 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…