Derricidin
Basic information
- CAS
38965-74-1- Standard SMILES
CC(C)=CCOc1ccc(C(=O)/C=C/c2ccccc2)c(O)c1- InChIKey
DGUGLZYULGVSIZ-DHZHZOJOSA-N- Molecular formula
- C20H20O3
- Average molar mass
- 308.4 g/mol
- Monoisotopic mass
- 308.1412445
Overview
Derricidin is a member of chalcones.
Names & identifiers
- Preferred name
- Derricidin
- IUPAC
- (E)-1-[2-hydroxy-4-(3-methylbut-2-enoxy)phenyl]-3-phenylprop-2-en-1-one
- English name
- (E)-1-[2-Hydroxy-4-[(3-methyl-2-butenyl)oxy]phenyl]-3-phenyl-2-propen-1-one
- Molecular weight
- 0
Names & synonyms
DerricidinCordoin38965-74-1(E)-1-[2-hydroxy-4-(3-methylbut-2-enoxy)phenyl]-3-phenylprop-2-en-1-oneDTXSID301318508(E)-1-(2-hydroxy-4-(3-methylbut-2-enoxy)phenyl)-3-phenylprop-2-en-1-oneRefChem:919906DTXCID201748316substituted chalcone, 5a2-Propen-1-one, 1-(2-hydroxy-4-((3-methyl-2-butenyl)oxy)phenyl)-3-phenyl-, (E)-trans-1-(2-Hydroxy-4-((3-methyl-2-butenyl)oxy)phenyl)-3-phenyl-2-propen-1-one51619-65-9
Show more names
(E)-1-[2-Hydroxy-4-[(3-methyl-2-butenyl)oxy]phenyl]-3-phenyl-2-propen-1-one
CHEMBL450771SCHEMBL18265486SCHEMBL30064641BDBM29137CHEBI:196253LMPK12120040NSC270894NSC-270894
Database identifiers
- CAS
38965-74-1、51619-65-9- PubChem CID
- 5961410
- DTXSID
DTXSID301318508- ChEMBL
CHEMBL450771- ChEBI
CHEBI:196253- Nikkaji
- J3.608.736F、J71.038E
Properties
Computed structural properties
- XLogP
- 5.4
- Topological polar surface area
- 46.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 6
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 428
Experimental & physicochemical properties
LipidsPolyketides [PK] -> Flavonoids [PK12] -> Chalcones and dihydrochalcones [PK1212]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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