Structure via PubChem · Public domain (PubChem)
hernandaline
Sign in to saveAlso known as 4,5-dimethoxy-2-{[(9S)-4,15,16-trimethoxy-10-methyl-10-azatetracyclo[7.7.1.0²,⁷.0¹³,¹⁷]heptadeca-1(16),2(7),3,5,13(17),14-hexaen-5-yl]oxy}benzaldehyde
Hernandaline is one of a class of quinoline alkaloids with chemical formula C29H31NO7 C29H31NO7 . This compound has been isolated from the stem bark of Hernandia ovigera (Hernandiaceae). Studies have established than hernandaline has hypotensive activity. Its optical rotation is [\alpha]_D^{20} = +36.5°.
Chemical data
- Formula
- C29H31NO7
- Molecular weight
- 505.6 g/mol
- IUPAC name
- 2-[[(6aS)-1,2,10-trimethoxy-6-methyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinolin-9-yl]oxy]-4,5-dimethoxybenzaldehyde
- SMILES
- CN1CCC2=CC(=C(C3=C2[C@@H]1CC4=CC(=C(C=C43)OC)OC5=CC(=C(C=C5C=O)OC)OC)OC)OC
- InChIKey
- HLUNBGMOGGEWFX-FQEVSTJZSA-N
- XLogP
- 4.3
- Polar surface area
- 75.7 Ų
- H-bond donors
- 0
- H-bond acceptors
- 8
- Formal charge
- 0
via PubChem
Wikidata facts
- Mass
- 505.210052332
Show 4 more facts
- chemical formula
- C₂₉H₃₁NO₇
- canonical SMILES
- O=CC1=CC(OC)=C(OC)C=C1OC=2C=C3C(=CC2OC)C=4C(OC)=C(OC)C=C5C4C(N(C)CC5)C3
- isomeric SMILES
- COc1cc(C=O)c(Oc2cc3c(cc2OC)-c2c(OC)c(OC)cc4c2[C@H](C3)N(C)CC4)cc1OC
- found in taxon
- Thalictrum flavum
Sources (1)
via Wikidata · CC0
~1 min read
Encyclopedic overview
2 sectionsContents
- See also
- References
{{chembox | Watchedfields = changed | verifiedrevid = 451785918 | Name = Hernandaline | IUPACName = 4,5-Dimethoxy-2-[(1,2,10-trimethoxyaporphin-9-yl)oxy]benzaldehyde | SystematicName = 4,5-Dimethoxy-2-{[(6aS)-1,2,10-trimethoxy-6-methyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinolin-9-yl]oxy}benzaldehyde | ImageFile = Hernandaline.svg | ImageName = Chemical structure of hernandaline |Section1 = |Section2 = }}
Hernandaline is one of a class of quinoline alkaloids with chemical formula C29H31NO7 C29H31NO7 . This compound has been isolated from the stem bark of Hernandia ovigera (Hernandiaceae). Studies have established than hernandaline has hypotensive activity. Its optical rotation is [\alpha]_D^{20} = +36.5°.
Excerpted from Wikipedia’s “hernandaline” article, available under the CC BY-SA 4.0 licence.