Basic information
- CAS
134958-52-4- Standard SMILES
CC(C)=CCc1cc(-c2cc(=O)c3c(O)c(CC=C(C)C)c(O)cc3o2)ccc1O- InChIKey
WGNIVAMNAWBYRO-UHFFFAOYSA-N- Molecular formula
- C25H26O5
- Average molar mass
- 406.5 g/mol
- Monoisotopic mass
- 406.17802393
Overview
Gancaonin Q is a member of flavones.
Names & identifiers
- Preferred name
- Gancaonin Q
- IUPAC
- 5,7-dihydroxy-2-[4-hydroxy-3-(3-methylbut-2-enyl)phenyl]-6-(3-methylbut-2-enyl)chromen-4-one
Names & synonyms
Gancaonin Q134958-52-45,7-dihydroxy-2-[4-hydroxy-3-(3-methylbut-2-enyl)phenyl]-6-(3-methylbut-2-enyl)chromen-4-oneDTXSID101591545,7-dihydroxy-2-(4-hydroxy-3-(3-methylbut-2-enyl)phenyl)-6-(3-methylbut-2-enyl)chromen-4-oneRefChem:142384DTXCID9081645CHEMBL40614175,7-Dihydroxy-2-[4-hydroxy-3-((E)-3-methyl-but-2-enyl)-phenyl]-6-(3-methyl-but-2-enyl)-1-benzopyran-4-one5,7-Dihydroxy-2-(4-hydroxy-3-((E)-3-methyl-but-2-enyl)-phenyl)-6-(3-methyl-but-2-enyl)-1-benzopyran-4-oneSCHEMBL24075640CHEBI:175260
Show more names
BDBM50253205LMPK121104095,7-Dihydroxy-2-[4-hydroxy-3-(3-methyl-2-butenyl)phenyl]-6-(3-methyl-2-butenyl)-4H-1-benzopyran-4-one, 9CI5,7-Dihydroxy-2-[4-hydroxy-3-(3-methylbut-2-en-1-yl)phenyl]-6-(3-methylbut-2-en-1-yl)-4H-1-benzopyran-4-one
Database identifiers
- CAS
134958-52-4- PubChem CID
- 480802
- DTXSID
DTXSID10159154- ChEMBL
CHEMBL4061417- ChEBI
CHEBI:175260- Nikkaji
- J410.349A
Properties
Computed structural properties
- XLogP
- 6.5
- Topological polar surface area
- 87 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 5
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 713
Experimental & physicochemical properties
LipidsPolyketides [PK] -> Flavonoids [PK12] -> Flavones and Flavonols [PK1211]
Melting Point212 - 214 °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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