Psoromic Acid
Grundinformationen
- CAS
7299-11-8- Standard-SMILES
COc1cc(C(=O)O)c2c(c1C)OC(=O)c1c(C)cc(O)c(C=O)c1O2- InChIKey
FUCWJKJZOHOLEO-UHFFFAOYSA-N- Summenformel
- C18H14O8
- Durchschnittliche Molmasse
- 358,3 g/mol
- Monoisotopische Masse
- 358,0688674
Namen und Bezeichner
- Bevorzugter Name
- Psoromic Acid
- IUPAC
- 10-formyl-9-hydroxy-3-methoxy-4,7-dimethyl-6-oxobenzo[b][1,4]benzodioxepine-1-carboxylic acid
- Englischer Name
- Psoromic acid
- Summenformel
- C18H14O8
- Molmasse
- 358.3
Namen und Synonyme
Psoromic acidParellic acid7299-11-8NSC-921867SWA85EH4H4-Formyl-3-hydroxy-8-methoxy-1,9-dimethyl-11-oxo-11H-dibenzo[b,e][1,4]dioxepine-6-carboxylic acidDTXSID7022326410-formyl-9-hydroxy-3-methoxy-4,7-dimethyl-6-oxobenzo[b][1,4]benzodioxepine-1-carboxylic acid11H-Dibenzo(b,e)(1,4)dioxepin-6-carboxylic acid, 4-formyl-3-hydroxy-8-methoxy-1,9-dimethyl-11-oxo-11H-Dibenzo[b,e][1,4]dioxepin-6-carboxylic acid, 4-formyl-3-hydroxy-8-methoxy-1,9-dimethyl-11-oxo-10-formyl-9-hydroxy-3-methoxy-4,7-dimethyl-6-oxobenzo(b)(1,4)benzodioxepine-1-carboxylic acid4-Formyl-3-hydroxy-8-methoxy-1,9-dimethyl-11-oxo-11H-dibenzo(b,e)(1,4)dioxepine-6-carboxylic acid
Weitere Namen anzeigen
Virensic acidNSC-685587PSOROMIC ACID(SH),9-dimethyl-11-oxo-11h-dibenzo(b,e)(1,4)dioxepin-6-carboxylicacid,4-formyl-3-hydroxy-8-methoxy-14-Formyl-3,8-dihydroxy-1,6,9-trimethyl-11-oxo-11H-dibenzo[b,e][1,4]dioxepin-7-carboxylic acid1,6,9-Trimethyl-3,8-dihydroxy-4-formyl-11-oxo-11H-dibenzo[b,e][1,4]dioxepin-7-carboxylic acid
RefChem:930212DTXCID70145755Psoromic acid (parellic acid)CHEMBL176570NSC92186MFCD000469414-formyl-3-hydroxy-8-methoxy-1,9-dimethyl-11-oxo-11H-dibenzo[b,e][1,4]dioxepin-6-carboxylic acid10-formyl-9-hydroxy-3-methoxy-4,7-dimethyl-6-oxo-benzo[b][1,4]benzodioxepine-1-carboxylic acid
Datenbank-Bezeichner
- CAS
7299-11-8- PubChem CID
- 23725
- DTXSID
DTXSID70223264- ChEMBL
CHEMBL176570- ChEBI
CHEBI:92074- UNII
- 7SWA85EH4H
- Nikkaji
- J14.291C
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- 2,8
- Polarare Oberfläche (TPSA)
- 119 Ų
- H-Brücken-Donoren
- 2
- H-Brücken-Akzeptoren
- 8
- Frei drehbare Bindungen
- 3
- Schwere Atome
- 26
- Formalladung
- 0
- Komplexität
- 578
Physikochemische Eigenschaften
- Schmelzpunkt
- 265 · 265~266℃
- storage temp.
- -20 °C · Store at -20°C
- Löslichkeit
- DMSO: Soluble; Ethanol: Soluble
- Aggregatzustand
- A solid
- Farbe
- White to off-white
- LogP
- 2.97 · 2.970 (est)
Chemie und Industrie
Anwendungen
VerwendenPsoromic acid is a Rab geranylgeranyl transferase inhibitor.
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