Artocarpetin A
Basic information
- CAS
167319-12-2- Standard SMILES
COc1cc(O)c2c(=O)cc(-c3ccc(O)cc3O)oc2c1CC=C(C)C- InChIKey
RZVNDYZVNDJBPR-UHFFFAOYSA-N- Molecular formula
- C21H20O6
- Average molar mass
- 368.4 g/mol
- Monoisotopic mass
- 368.12598835
Overview
Artocarpetin A is a member of flavones.
Names & identifiers
- Preferred name
- Artocarpetin A
- IUPAC
- 2-(2,4-dihydroxyphenyl)-5-hydroxy-7-methoxy-8-(3-methylbut-2-enyl)chromen-4-one
Names & synonyms
Artocarpetin AArtocarpetin A?NSC6879612-(2,4-dihydroxyphenyl)-5-hydroxy-7-methoxy-8-(3-methylbut-2-enyl)chromen-4-oneCHEMBL463111CHEBI:175718DTXSID201121207NSC-6879612-(2,4-dihydroxyphenyl)-5-hydroxy-7-methoxy-8-(3-methylbut-2-en-1-yl)-4H-chromen-4-one167319-12-2NCI60_0317452',4',5-Trihydroxy-7-methoxy-8-prenylflavone
Show more names
8-(gamma,gamma-dimethylallyl)-5,2',4'-trihydroxy-7-methoxyflavone2-(2,4-Dihydroxyphenyl)-5-hydroxy-7-methoxy-8-(3-methyl-2-buten-1-yl)-4H-1-benzopyran-4-one2-(2,4-Dihydroxyphenyl)-5-hydroxy-7-methoxy-8-(3-methylbut-2-en-1-yl)-4H-1-benzopyran-4-one
Database identifiers
- CAS
167319-12-2- PubChem CID
- 390520
- DTXSID
DTXSID201121207- ChEMBL
CHEMBL463111- ChEBI
CHEBI:175718- Nikkaji
- J678.247G
Properties
Computed structural properties
- XLogP
- 4.6
- 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
- 608
Experimental & physicochemical properties
Melting Point270 - 271 °C
Physical DescriptionSolid
Chemistry & industry
Pharmacology
Cellular LocationsMembrane
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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