Melannin
Basic information
- CAS
58115-08-5- Standard SMILES
COc1cc2oc(=O)cc(-c3ccc(O)cc3)c2cc1O- InChIKey
HUGUGFBIYQBLCS-UHFFFAOYSA-N- Molecular formula
- C16H12O5
- Average molar mass
- 284.26 g/mol
- Monoisotopic mass
- 284.06847348
Overview
Melannin is a neoflavonoid.
Names & identifiers
- Preferred name
- Melannin
- IUPAC
- 6-hydroxy-4-(4-hydroxyphenyl)-7-methoxychromen-2-one
Names & synonyms
MelanninMelanettinDTXSID503319576-Hydroxy-4-(4-hydroxyphenyl)-7-methoxycoumarinRefChem:156302DTXCID8028305158115-08-56-hydroxy-4-(4-hydroxyphenyl)-7-methoxychromen-2-oneCHEBI:6728CHEMBL2397755SCHEMBL301234836-Hydroxy-4-(4-hydroxyphenyl)-7-methoxy-2H-1-benzopyran-2-one
Show more names
LMPK12100004Q27107313
Database identifiers
- CAS
58115-08-5- PubChem CID
- 442808
- DTXSID
DTXSID50331957- ChEMBL
CHEMBL2397755- ChEBI
CHEBI:6728- Nikkaji
- J933.950G
Properties
Computed structural properties
- XLogP
- 2.3
- Topological polar surface area
- 76 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 2
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 424
Experimental & physicochemical properties
LipidsPolyketides [PK] -> Flavonoids [PK12] -> Neoflavonoids [PK1210]
Melting Point233 - 234 °C
Physical DescriptionSolid
Chemistry & industry
Pharmacology
Cellular LocationsMembrane
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Related reactions
0 records
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Compound notes
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