Grundinformationen
- Standard-SMILES
Oc1cc(O)c2c(c1)OC(c1ccc(O)c(O)c1)C(O)C2- InChIKey
PFTAWBLQPZVEMU-UHFFFAOYSA-N- Summenformel
- C15H14O6
- Durchschnittliche Molmasse
- 290,27 g/mol
- Monoisotopische Masse
- 290,07903817
Überblick
Catechin is members of the class of hydroxyflavan that have a flavan-3-ol skeleton and its substituted derivatives.
Namen und Bezeichner
- Bevorzugter Name
- 2-(3,4-dihydroxyphenyl)-3,4-dihydro-2H-1-benzopyran-3,5,7-triol
- IUPAC
- 2-(3,4-dihydroxyphenyl)-3,4-dihydro-2H-chromene-3,5,7-triol
Namen und Synonyme
13392-26-22-(3,4-Dihydroxyphenyl)-3,4-dihydro-2H-1-benzopyran-3,5,7-triolDTXSID10859304RefChem:1060982DTXCID60209138236-471-62-(3,4-Dihydroxyphenyl)chroman-3,5,7-triol7295-85-4(+/-)-Catechin(+/-)-EpicatechinDL-Catechin17334-50-8
Weitere Namen anzeigen
2-(3,4-Dihydroxyphenyl)chromane-3,5,7-triolcis-(+/-)-2-(3,4-dihydroxyphenyl)-3,4-dihydro-2H-1-benzopyran-3,5,7-triol2H-1-Benzopyran-3,5,7-triol, 2-(3,4-dihydroxyphenyl)-3,4-dihydro-,(2R,3S)-rel-(+/-)-catecholC15H14O6Catechin (hydrate)3,3',4',5,7-Pentahydroxy-flavane( inverted exclamation markA)-Catechin
Datenbank-Bezeichner
- CAS
13392-26-2、17334-50-8、7295-85-4- PubChem CID
- 1203
- DTXSID
DTXSID10859304- ChEMBL
CHEMBL206452- ChEBI
CHEBI:23053- EC Number
- 230-731-2、236-471-6、241-357-4
- Nikkaji
- J213.895F
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- 0,4
- Polarare Oberfläche (TPSA)
- 110 Ų
- H-Brücken-Donoren
- 5
- H-Brücken-Akzeptoren
- 6
- Frei drehbare Bindungen
- 1
- Schwere Atome
- 21
- Formalladung
- 0
- Komplexität
- 364
Experimentelle und physikochemische Eigenschaften
SpringerMaterials PropertiesChemical shift
Endocrine DisruptorsPotential endocrine disrupting compound
Sicherheit und Regulatorisches
GHS-Klassifizierung
GHS Classification
Warning
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 43 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Gefahrenhinweise
Hazard Classes and CategoriesSkin Irrit. 2 (100%)
Zugehörige Reaktionen
5
Verknüpfte Notizen
Wird geladen…