1,8-Dihydroxy-3-methoxy-6-methylanthrachinon

Physcion

HCID 10639

Teilstruktursuche Ähnliche Strukturen suchen

Grundinformationen

CAS: 521-61-9
Standard-SMILES: COc1cc(O)c2c(c1)C(=O)c1cc(C)cc(O)c1C2=O
InChIKey: FFWOKTFYGVYKIR-UHFFFAOYSA-N
Summenformel: C16H12O5
Durchschnittliche Molmasse: 284,26 g/mol
Monoisotopische Masse: 284,06847348

Überblick

Physcion is a dihydroxyanthraquinone that is 9,10-anthraquinone bearing hydroxy substituents at positions 1 and 8, a methoxy group at position 3, and a methyl group at position 6. It has been widely isolated and characterised from both terrestrial and marine sources. It has a role as a metabolite, an antibacterial agent, an antineoplastic agent, an antifungal agent, a hepatoprotective agent, an anti-inflammatory agent and an apoptosis inducer. It is functionally related to a 2-methylanthraquinone.

Namen und Bezeichner

Bevorzugter Name: Physcion
IUPAC: 1,8-dihydroxy-3-methoxy-6-methylanthracene-9,10-dione
Lokaler Name: 1,8-Dihydroxy-3-methoxy-6-methylanthrachinon
Englischer Name: Emodin-3-methyl ether
Summenformel: C16H12O5
Molmasse: 284.26

Namen und Synonyme

Physcion521-61-9PhyscioneRheochrysidinEmodin 3-methyl ether1,8-dihydroxy-3-methoxy-6-methylanthracene-9,10-dione1,8-Dihydroxy-3-methoxy-6-methyl-9,10-anthracenedioneParieninEmodin monomethyl etherH6PT94IV61ANTHRAQUINONE, 1,8-DIHYDROXY-3-METHOXY-6-METHYL-NSC-251670

Weitere Namen anzeigen

parietinMethyleModinRheochrysidin (Physcion)Emodin-3-methyl ether 521-61-9Physcion-RMPhyscic acid

CHEBI:38167DTXSID20200101RefChem:45131DTXCID80122592208-315-7Emodin-3-methyl ether1,8-Dihydroxy-3-methoxy-6-methylanthraquinoneMFCD00017374

Datenbank-Bezeichner

CAS: 521-61-9
PubChem CID: 10639
DTXSID: DTXSID20200101
ChEMBL: CHEMBL42624
ChEBI: CHEBI:38167
UNII: H6PT94IV61
EC Number: 208-315-7
Nikkaji: J11.586J

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 3
Polarare Oberfläche (TPSA): 83,8 Å²
H-Brücken-Donoren: 2
H-Brücken-Akzeptoren: 5
Frei drehbare Bindungen: 1
Schwere Atome: 21
Formalladung: 0
Komplexität: 448

Experimentelle und physikochemische Eigenschaften

LipidsPolyketides [PK] -> Aromatic polyketides [PK13] -> Anthracenes and phenanthrenes [PK1304]

LogP4.93

Collision Cross Section152.86 Å² [M+H-H2O]+ [CCS Type: TW; Method: calibrated with polyalanine and drug standards]

Physikochemische Eigenschaften

Schmelzpunkt: 196 · 196-206°C
Siedepunkt: 560.5 · 560.5±50.0 °C(Predicted)
Dichte: 1.448 · 1.448±0.06 g/cm3(Predicted)
storage temp.: -20 °C · -20°C Freezer, Under Inert Atmosphere
Löslichkeit: Chloroform (Slightly, Heated), Ethyl Acetate (Slightly, Heated), Methanol (Slightly)
Aggregatzustand: Solid
pka: 6.23 · 6.23±0.20(Predicted)
Farbe: Yellow to Dark Yellow to Dark Orange
BRN: 6770499 · 6770499
Stabilität: Hygroscopic
Major Application: food and beverages
InChI: InChI=1S/C16H12O5/c1-7-3-9-13(11(17)4-7)16(20)14-10(15(9)19)5-8(21-2)6-12(14)18/h3-6,17-18H,1-2H3
InChIKey: FFWOKTFYGVYKIR-UHFFFAOYSA-N
SMILES: C1(O)=C2C(C(=O)C3=C(C2=O)C(O)=CC(C)=C3)=CC(OC)=C1
LogP: 5.078 · 5.078 (est)
CAS Datenbank: 521 · 521-61-9(CAS DataBase Reference)

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 · 4 Einträge

Warning

H315 (93.3%): 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 45 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 (93.3%)

Sicherheitsdaten

F: 10
wgk: 3
hs_code: 29146990
RTECS-Nr.: CB6720000
risk_code: 36/37/38
hazard_code: Xi
safety_code: 26
Speicherklasse: 11 - Combustible Solids
Hazard Classifications: Acute Tox. 4 Oral

Chemie und Industrie

Anwendungen · 1 Eintrag

VerwendenA natural anthraquinone derivative, on the infection process of Blumeria graminis on wheat. Physcion is one of the important active ingredients of ethanol extract from the roots of Chinese rhubarb (Rheum officinale) for controlling powdery mildew.

Vor- und nachgelagerte Produkte

Vorgelagerte Rohstoffe

3,4-Dihydro-3,8,9-trihydroxy-3-methyl-6-methoxyanthracene-1(2H)-one 9,10-Anthracenedione, 1-hydroxy-6,8-dimethoxy-3-methyl-[9,9'-Bianthracene]-10,10'(9H,9'H)-dione, 4,4',5,5'-tetrahydroxy-2,2'-dimethoxy-7,7'-dimethyl-physcion diglucoside PHYSCIONANTHRONEB 7-Methyl-juglone 1,3,8-Trihydroxy-6-methylanthrachinon

Anbieter100 Anbieter

北京华美互利生物化工010-56205725 · [email protected]

成都普瑞法科技开发有限公司+86-028-82633397 18982077548 · [email protected]

上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]

上海如吉生物科技发展有限公司+86-21-65211385-8001 36031160 · [email protected]

上海将来实业股份有限公司400-0066400 13621662912 · [email protected]

Ergänzende Hinweise

DefinitionChEBI: A dihydroxyanthraquinone that is 9,10-anthraquinone bearing hydroxy substituents at positions 1 and 8, a methoxy group at position 3, and a methyl group at position 6.

Zugehörige Reaktionen

Reaktionsaufzeichnung erstellen

Keine Reaktionsaufzeichnungen unter den aktuellen Filterkriterien.

Notizen zur Verbindung

Wird geladen…