3,3''-dihydroxy-6'-O-desmethylterphenyllin
Grundinformationen
- Standard-SMILES
COc1c(-c2ccc(O)c(O)c2)cc(O)c(-c2ccc(O)c(O)c2)c1O- InChIKey
VKBPMLDNIWHWKC-UHFFFAOYSA-N- Summenformel
- C19H16O7
- Durchschnittliche Molmasse
- 356,3 g/mol
- Monoisotopische Masse
- 356,08960285
Überblick
3,3''-dihydroxy-6'-O-desmethylterphenyllin is a para-terphenyl that is 6'-O-desmethylterphenyllin substituted by additional hydroxy groups at positions 3 and 3''. Isolated from Penicillium chermesinum, it exhibits inhibitory activity against alpha-glucosidase. It has a role as an EC 3.2.1.20 (alpha-glucosidase) inhibitor and a Penicillium metabolite. It is a member of guaiacols, a member of benzenediols and a para-terphenyl. It is functionally related to a terphenyllin.
Namen und Bezeichner
- Bevorzugter Name
- 3,3''-dihydroxy-6'-O-desmethylterphenyllin
- IUPAC
- 2,5-bis(3,4-dihydroxyphenyl)-4-methoxybenzene-1,3-diol
Namen und Synonyme
3,3''-dihydroxy-6'-O-desmethylterphenyllinCHEBI:674012,5-bis(3,4-dihydroxyphenyl)-4-methoxybenzene-1,3-diol3'-Methoxy-1,1':4',1''-terphenyl-2',3,3'',4,4'',6'-hexolRefChem:90618CHEMBL465798BDBM50347541Q27135863
Datenbank-Bezeichner
- ChEMBL
CHEMBL465798- ChEBI
CHEBI:67401- Nikkaji
- J1.003.754I
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- 3
- Polarare Oberfläche (TPSA)
- 131 Ų
- H-Brücken-Donoren
- 6
- H-Brücken-Akzeptoren
- 7
- Frei drehbare Bindungen
- 3
- Schwere Atome
- 26
- Formalladung
- 0
- Komplexität
- 461
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