Bisdemethoxycurcumin
Grundinformationen
- CAS
24939-16-0- Standard-SMILES
O=C(/C=C/c1ccc(O)cc1)CC(=O)/C=C/c1ccc(O)cc1- InChIKey
PREBVFJICNPEKM-YDWXAUTNSA-N- Summenformel
- C19H16O4
- Durchschnittliche Molmasse
- 308,3 g/mol
- Monoisotopische Masse
- 308,10485899
Überblick
Bisdemethoxycurcumin is a beta-diketone that is methane in which two of the hydrogens are substituted by 4-hydroxycinnamoyl groups. It has a role as a metabolite and an EC 3.2.1.1 (alpha-amylase) inhibitor. It is a polyphenol, an enone, a beta-diketone and a diarylheptanoid. It is functionally related to a 4-coumaric acid.
Namen und Bezeichner
- Bevorzugter Name
- Bisdemethoxycurcumin
- IUPAC
- (1E,6E)-1,7-bis(4-hydroxyphenyl)hepta-1,6-diene-3,5-dione
- Englischer Name
- Bisdemethoxycurcumin
- Summenformel
- C19H16O4
- Molmasse
- 308.32794
Namen und Synonyme
Bisdemethoxycurcumin33171-05-0Curcumin IIIDidemethoxycurcumin(1E,6E)-1,7-bis(4-hydroxyphenyl)hepta-1,6-diene-3,5-dionebisdesmethoxycurcuminBis-demethoxycurcuminBis(p-hydroxycinnamoyl)methane1,6-Heptadiene-3,5-dione, 1,7-bis(4-hydroxyphenyl)-DTXSID008726632EFO1BP34RCHEBI:71045
Weitere Namen anzeigen
bisdemethoxy-curcuminRefChem:569455DTXCID10820312607-464-924939-16-0Bisdemethoxycucurmin(E,E)-BisdemethoxycurcuminBis(4-hydroxycinnamoyl)methane
Datenbank-Bezeichner
- CAS
24939-16-0、33171-05-0- PubChem CID
- 5315472
- DTXSID
DTXSID00872663- ChEMBL
CHEMBL105350- ChEBI
CHEBI:71045- UNII
- 2EFO1BP34R
- EC Number
- 607-464-9、881-423-5
- Nikkaji
- J468.370F、J877.763B
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- 3,3
- Polarare Oberfläche (TPSA)
- 74,6 Ų
- H-Brücken-Donoren
- 2
- H-Brücken-Akzeptoren
- 4
- Frei drehbare Bindungen
- 6
- Schwere Atome
- 23
- Formalladung
- 0
- Komplexität
- 408
Experimentelle und physikochemische Eigenschaften
Endocrine DisruptorsPotential endocrine disrupting compound
Physical DescriptionSolid
Collision Cross Section176.1 Ų [M-H]- [CCS Type: DT; Buffer gas: N2; Ionization: ESI-; Dataset: TOXCAST; Source Identifier: DTXSID00872663]
Sicherheit und Regulatorisches
Sicherheitsangaben dienen nur zur Orientierung und ersetzen weder das Sicherheitsdatenblatt (SDB) des Lieferanten noch geltende Vorschriften oder eine fachliche Bewertung.
GHS-Klassifizierung
GHS Classification
Warning
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
P264, P264+P265, P280, P302+P352, P305+P351+P338, P321, P332+P317, P337+P317, and P362+P364 (click each P-code to see the statement)
Aggregated GHS information provided per 2 reports by companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Not Classified
Gefahrenhinweise
Hazard Classes and Categories
Skin Irrit. 2 (100%)
Not Classified
Chemie und Industrie
Pharmakologische Informationen
Metabolism/MetabolitesBisdemethoxycurcumin has known human metabolites that include Bisdemethoxycurcumin, 4-O-glucuronide.
Cellular LocationsMembrane
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