Gancaonin E
Basic information
- CAS
124596-89-0- Standard SMILES
CC(C)=CCc1cc(C2CC(=O)c3c(O)cc(O)c(CC=C(C)C)c3O2)cc(O)c1O- InChIKey
HCBKENVWCDLQOA-UHFFFAOYSA-N- Molecular formula
- C25H28O6
- Average molar mass
- 424.5 g/mol
- Monoisotopic mass
- 424.18858861
Overview
(S)-3',4',5,7-Tetrahydroxy-5',8-diprenylflavanone is a member of flavanones.
Names & identifiers
- Preferred name
- Gancaonin E
- IUPAC
- 2-[3,4-dihydroxy-5-(3-methylbut-2-enyl)phenyl]-5,7-dihydroxy-8-(3-methylbut-2-enyl)-2,3-dihydrochromen-4-one
Names & synonyms
Gancaonin E124596-89-02-[3,4-dihydroxy-5-(3-methylbut-2-enyl)phenyl]-5,7-dihydroxy-8-(3-methylbut-2-enyl)-2,3-dihydrochromen-4-one2-(3,4-dihydroxy-5-(3-methylbut-2-enyl)phenyl)-5,7-dihydroxy-8-(3-methylbut-2-enyl)-2,3-dihydrochromen-4-oneRefChem:10857122-[3,4-Dihydroxy-5-((E)-3-methyl-but-2-enyl)-phenyl]-5,7-dihydroxy-8-(3-methyl-but-2-enyl)-1-benzopyran-4-one(S)-3',4',5,7-Tetrahydroxy-5',8-diprenylflavanone2-(3,4-Dihydroxy-5-((E)-3-methyl-but-2-enyl)-phenyl)-5,7-dihydroxy-8-(3-methyl-but-2-enyl)-1-benzopyran-4-oneSCHEMBL1170822Flavanone base + 4O, 2PrenylDTXSID10924869CHEBI:175410
Show more names
LMPK121404022-[3,4-Dihydroxy-5-(3-methylbut-2-en-1-yl)phenyl]-5,7-dihydroxy-8-(3-methylbut-2-en-1-yl)-2,3-dihydro-4H-1-benzopyran-4-one2-[3,4-dihydroxy-5-(3-methylbut-2-enyl)phenyl]-5,7-dihydroxy-8-(3-methylbut-2-enyl)chroman-4-one
Database identifiers
- CAS
124596-89-0- PubChem CID
- 480770
Properties
Computed structural properties
- XLogP
- 5.9
- Topological polar surface area
- 107 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 5
- Heavy atoms
- 31
- Formal charge
- 0
- Complexity
- 692
Experimental & physicochemical properties
LipidsPolyketides [PK] -> Flavonoids [PK12] -> Flavanones [PK1214]
Melting Point203 - 207 °C
Physical DescriptionSolid
Chemistry & industry
Pharmacology
Cellular LocationsMembrane
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Compound notes
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