Dracorhodin
Basic information
- CAS
643-56-1- Standard SMILES
COc1c2ccc(-c3ccccc3)oc-2cc(=O)c1C- InChIKey
UCZJPQIEFFTIEV-UHFFFAOYSA-N- Molecular formula
- C17H14O3
- Average molar mass
- 266.29 g/mol
- Monoisotopic mass
- 266.09429431
Overview
dracorhodin has been reported in Calamus draco with data available.
Names & identifiers
- Preferred name
- Dracorhodin
- IUPAC
- 5-methoxy-6-methyl-2-phenylchromen-7-one
- English name
- dracorhodin
- Molecular formula
- C17H14O3
- Molecular weight
- 266.29
Names & synonyms
Dracorhodin643-56-15-methoxy-6-methyl-2-phenylchromen-7-one5-Methoxy-6-methyl-2-phenyl-7H-1-benzopyran-7-oneC4TSX5M53XDTXSID20214526NSC-234485RefChem:135758DTXCID501370175-Methoxy-6-methyl-2-phenyl-7H-chromen-7-oneC.I. 752107H-1-Benzopyran-7-one, 5-methoxy-6-methyl-2-phenyl-
Show more names
C.I.75210Dracohordin5-methoxy-6-methyl-2-phenyl-chromen-7-oneAnhydro-7-hydroxy-5-methoxy-6-methylflavenol2-Phenyl-5-methoxy-6-methyl-7H-1-benzopyran-7-one
UCZJPQIEFFTIEV-UHFFFAOYSA-NNSC 234485UNII-C4TSX5M53XCHEMBL486600orb1690385SCHEMBL38682446HY-N4081NSC234485
Database identifiers
- CAS
643-56-1- PubChem CID
- 69509
- DTXSID
DTXSID20214526- ChEMBL
CHEMBL486600- UNII
- C4TSX5M53X
- Nikkaji
- J125.804D
Properties
Computed structural properties
- XLogP
- 2.7
- Topological polar surface area
- 35.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 555
Physicochemical properties
- Boiling point
- 564.7 · 564.7±50.0 °C(Predicted)
- Density
- 1.23 · 1.23±0.1 g/cm3(Predicted)
- form
- Solid
- color
- Brown to reddish brown
- FDA UNII
- 4 TSX5M53X · C4TSX5M53X
Chemistry & industry
Applications
UsesDracorhodin, the main component in sanguis draconis, is a flavylium compound belonging to the anthocyanin family. Dracorhodin can induce vasodilatation[1].
Upstream & downstream products
Upstream raw materials
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Related reactions
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Compound notes
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