Herkinorin

HCID 11431898
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Grundinformationen

CAS
862073-77-6
Standard-SMILES
COC(=O)[C@@H]1C[C@H](OC(=O)c2ccccc2)C(=O)[C@H]2[C@@]1(C)CC[C@H]1C(=O)O[C@H](c3ccoc3)C[C@]21C
InChIKey
PYDQMXRFUVDCHC-XAGHGKQISA-N
Summenformel
C28H30O8
Durchschnittliche Molmasse
494,5 g/mol
Monoisotopische Masse
494,19406792

Überblick

structure in first source

Namen und Bezeichner

Bevorzugter Name
Herkinorin
IUPAC
methyl (2S,4aR,6aR,7R,9S,10aS,10bR)-9-benzoyloxy-2-(furan-3-yl)-6a,10b-dimethyl-4,10-dioxo-2,4a,5,6,7,8,9,10a-octahydro-1H-benzo[f]isochromene-7-carboxylate
Englischer Name
Herkinorin
Summenformel
C28H30O8
Molmasse
494.53

Namen und Synonyme

herkinorin862073-77-6BF3DNCA methyl ester5XN29VGR249-(benzoyloxy)-2-(3-furanyl)dodecahydro-6a,10b-dimethyl-4,10-dioxo-2H-naphtho(2,1-c)pyran-7-carboxylic acid methyl esterDTXSID30235444RefChem:145800DTXCID30157935UNII-5XN29VGR24CHEMBL363324methyl (2S,4aR,6aR,7R,9S,10aS,10bR)-9-benzoyloxy-2-(furan-3-yl)-6a,10b-dimethyl-4,10-dioxo-2,4a,5,6,7,8,9,10a-octahydro-1H-benzo[f]isochromene-7-carboxylateorb1700407
Weitere Namen anzeigen
Herkinorin, mu opioid agonist2H-Naphtho[2,1-c]pyran-7-carboxylic acid, 9-(benzoyloxy)-2-(3-furanyl)dodecahydro-6a,10b-dimethyl-4,10-dioxo-, methyl ester, (2S,4aR,6aR,7R,9S,10aS,10bR)-
SCHEMBL3540059PYDQMXRFUVDCHC-XAGHGKQISA-NC28H30O8BDBM50170678MFCD10574986AKOS040748524DA-74096HY-121415

Datenbank-Bezeichner

CAS
862073-77-6
PubChem CID
11431898
DTXSID
DTXSID30235444
ChEMBL
CHEMBL363324
UNII
5XN29VGR24
Nikkaji
J3.329.287B

Eigenschaften

Berechnete Struktureigenschaften

XLogP
4,2
Polarare Oberfläche (TPSA)
109 Ų
H-Brücken-Donoren
0
H-Brücken-Akzeptoren
8
Frei drehbare Bindungen
6
Schwere Atome
36

Physikochemische Eigenschaften

Schmelzpunkt
165 · 165-170 °C
Siedepunkt
635.6 · 635.6±55.0 °C(Predicted)
Dichte
1.3 · 1.30±0.1 g/cm3(Predicted)
storage temp.
-20 °C · -20°C
Löslichkeit
1 mg/ml; · Acetonitrile: 1 mg/ml; DMF: 1 mg/ml; DMF:PBS(pH 7.2)(1:1): 0.5 mg/ml; DMSO: 2 mg/ml
Aggregatzustand
A crystalline solid

Sicherheit und Regulatorisches

Sicherheitsdaten

wgk
WGK 3
Speicherklasse
11 - Combustible Solids

Chemie und Industrie

Anwendungen · 2 Einträge

BeschreibungHerkinorin (Item No. 20925) is an analytical reference standard that is functionally categorized as an opioid. It is a natural neoclerodane diterpene from S. divinorum that preferentially activates the μ-opioid receptor. Unlike the peptide DAMGO , herkinorin activates μ-opioid receptors without inducing arrestin-mediated receptor internalization. Herkinorin has antinociceptive effects in rats. It has been identified as a novel psychoactive substance in multiple agitated emergency department patients screened in a non-targeted manner. This product is intended for research and forensic applications.

VerwendenHerkinorin is an opioid analgesic and an analogue of Salvinorin A (S100900). Salvinorin A is a potent and selective kappa-opioid receptor agonist.

Anbieter6 Anbieter

Aladdin Scientific[email protected]
Ascent Scientific4401179829988 · [email protected]
上海陶术生物科技股份有限公司+1-781-999-5354; +1-00000000000 · [email protected]
Henan Bao Enluo International TradeCo.，LTD+86-17331933971 · [email protected]
上海宏叶生物科技有限公司400-9205774 400-920-5774 · [email protected]

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