Npc19615
Basic information
- CAS
69573-59-7- Standard SMILES
COc1c(C2COc3cc(O)cc(O)c3C2=O)ccc(O)c1CC=C(C)C- InChIKey
AALISTBXLBQUEH-UHFFFAOYSA-N- Molecular formula
- C21H22O6
- Average molar mass
- 370.4 g/mol
- Monoisotopic mass
- 370.14163842
Overview
sophoraisoflavanone A has been reported in Sophora flavescens and Sophora tomentosa with data available.
Names & identifiers
- Preferred name
- Npc19615
- IUPAC
- 5,7-dihydroxy-3-[4-hydroxy-2-methoxy-3-(3-methylbut-2-enyl)phenyl]-2,3-dihydrochromen-4-one
Names & synonyms
RefChem:1092838Npc19615Sophoraisoflavanone A69573-59-7DTXSID00331962LMPK120504802,3-Dihydro-5,7-dihydroxy-3-[4-hydroxy-2-methoxy-3-(3-methyl-2-butenyl)phenyl]-4H-1-benzopyran-4-oneF929135,7-Dihydroxy-3-[4-hydroxy-2-methoxy-3-(3-methylbut-2-en-1-yl)phenyl]-2,3-dihydro-4H-1-benzopyran-4-one
Database identifiers
- CAS
69573-59-7- PubChem CID
- 442822
- DTXSID
DTXSID00331962- Nikkaji
- J459.277H
Properties
Computed structural properties
- XLogP
- 4.5
- Topological polar surface area
- 96.2 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 4
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 557
Experimental & physicochemical properties
LipidsPolyketides [PK] -> Flavonoids [PK12] -> Isoflavonoids [PK1205]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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