7-Hydroxyisoflavone

HCID 5376891CAS 13057-72-2

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Grundinformationen

Standard-SMILES: O=c1c(-c2ccccc2)coc2cc(O)ccc12
InChIKey: WMKOZARWBMFKAS-UHFFFAOYSA-N
Summenformel: C15H10O3
Durchschnittliche Molmasse: 238,24 g/mol
Monoisotopische Masse: 238,06299418

Überblick

7-hydroxyisoflavone is the simplest member of the class of 7-hydroxyisoflavones that is isoflavone with a hydroxy substituent at position 7. It has a role as a metabolite and an EC 1.14.14.14 (aromatase) inhibitor. It is a conjugate acid of a 7-hydroxyisoflavone(1-).

Namen und Bezeichner

Bevorzugter Name: 7-Hydroxyisoflavone
IUPAC: 7-hydroxy-3-phenylchromen-4-one
Englischer Name: 7-Hydroxyisoflavone
Summenformel: C15H10O3
Molmasse: 238.24

Namen und Synonyme

7-Hydroxyisoflavone13057-72-27-Hydroxy-3-phenyl-4H-chromen-4-one7-hydroxy-3-phenylchromen-4-one4H-1-Benzopyran-4-one, 7-hydroxy-3-phenyl-7-Hydroxy IsoflavoneCHEBI:12256DTXSID90156626RefChem:106227DTXCID7079117603-427-67-Hydroxy-3-phenyl-chromen-4-one

Weitere Namen anzeigen

AMP Citrate7-hydroxy isoflavones7-hydroxy-3-phenyl-4-chromenoneIsoflavone, 7-hydroxy- (6CI,7CI,8CI)7-hydroxy-3-phenyl-1-benzopyran-4-one7Hydroxyisoflavone,7 Hydroxyisoflavone

MFCD000177017-Hydroxy-3-phenylchromoneIpriflavone Impurity B7-hydroxy-3-phenyl-4H-1-benzopyran-4-oneNSC607392Ipriflavone Impurity 2BRN 01935347-hydroxyisoflavones

Datenbank-Bezeichner

CAS: 13057-72-2
PubChem CID: 5376891
DTXSID: DTXSID90156626
ChEMBL: CHEMBL491981
ChEBI: CHEBI:12256
EC Number: 603-427-6
Nikkaji: J270.628H

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 2,8
Polarare Oberfläche (TPSA): 46,5 Å²
H-Brücken-Donoren: 1
H-Brücken-Akzeptoren: 3
Frei drehbare Bindungen: 1
Schwere Atome: 18
Formalladung: 0
Komplexität: 355

Experimentelle und physikochemische Eigenschaften

Endocrine DisruptorsPotential endocrine disrupting compound

Physikochemische Eigenschaften

Schmelzpunkt: 214 to · 214.0 to 218.0 °C
Siedepunkt: 450.1 · 450.1±45.0 °C(Predicted)
Dichte: 1.34 · 1.340±0.06 g/cm3(Predicted)
storage temp.: 2 · 2-8°C, protect from light
pka: 6.98 · 6.98±0.20(Predicted)
Aggregatzustand: powder to crystal
Farbe: White to Almost white
InChI: InChI=1S/C15H10O3/c16-11-6-7-12-14(8-11)18-9-13(15(12)17)10-4-2-1-3-5-10/h1-9,16H
InChIKey: WMKOZARWBMFKAS-UHFFFAOYSA-N
SMILES: C1OC2=CC(O)=CC=C2C(=O)C=1C1=CC=CC=C1

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 4 Einträge

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]

P264, P270, P301+P317, P330, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 40 reports by companies from 2 notifications to the ECHA C&L Inventory.

Gefahrenhinweise

Hazard Classes and CategoriesAcute Tox. 4 (100%)

Sicherheitsdaten

wgk: 3
hs_code: 29145090
RTECS-Nr.: DJ3100255
risk_code: 22-36/37/38
hazard_code: Xn
safety_code: 26-37/39
hazard_class: IRRITANT
Speicherklasse: 11 - Combustible Solids
Hazard Classifications: Acute Tox. 4 Oral

Chemie und Industrie

Pharmakologische Informationen

Metabolism/Metabolites7-Hydroxyisoflavone is a known human metabolite of ipriflavone.

Anwendungen

Verwenden7-Hydroxyisoflavone and its derivatives are highly important drug intermediate,the correlated medicines can be used as antiosteoporosis drugs,prevent knubbly cell diffusion,therapy coronary heart disease etc.

Vor- und nachgelagerte Produkte

Vorgelagerte Rohstoffe

Anbieter50 Anbieter

梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]

陕西格列弗生物科技研究有限责任公司13892423764 · [email protected]

銘瑞集團有限公司17318633522 · [email protected]

济南百隆化学有限公司[email protected] · [email protected]

成都超九八生物科技有限公司13348960310 13348960310 · [email protected]

Ergänzende Hinweise · 1 Eintrag

DefinitionChEBI: 7-hydroxyisoflavone is the simplest member of the class of 7-hydroxyisoflavones that is isoflavone with a hydroxy substituent at position 7. It has a role as an EC 1.14.14.14 (aromatase) inhibitor and a metabolite. It is a conjugate acid of a 7-hydroxyisoflavone(1-).