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(3S)-6,7-dimethoxy-3-(6-methyl-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]isoquinolin-5-yl)-3H-2-benzofuran-1-one

group of stereoisomers with the chemical formula C₂₁H₂₁NO₆
ChemicalSubstance group_of_stereoisomers Q105137598
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(3S)-6,7-dimethoxy-3-(6-methyl-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]isoquinolin-5-yl)-3H-2-benzofuran-1-one

Summary

(3S)-6,7-dimethoxy-3-(6-methyl-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]isoquinolin-5-yl)-3H-2-benzofuran-1-one is a group of stereoisomers[1].

Key Facts

  • (3S)-6,7-dimethoxy-3-(6-methyl-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]isoquinolin-5-yl)-3H-2-benzofuran-1-one's instance of is recorded as group of stereoisomers[2].
  • (3S)-6,7-dimethoxy-3-(6-methyl-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]isoquinolin-5-yl)-3H-2-benzofuran-1-one's canonical SMILES is recorded as O=C1OC(C2=CC=C(OC)C(OC)=C12)C3C4=CC=5OCOC5C=C4CCN3C[3].
  • (3S)-6,7-dimethoxy-3-(6-methyl-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]isoquinolin-5-yl)-3H-2-benzofuran-1-one's InChI is recorded as InChI=1S/C21H21NO6/c1-22-7-6-11-8-15-16(27-10-26-15)9-13(11)18(22)19-12-4-5-14(24-2)20(25-3)17(12)21(23)28-19/h4-5,8-9,18-19H,6-7,10H2,1-3H3/t18?,19-/m0/s1[4].
  • (3S)-6,7-dimethoxy-3-(6-methyl-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]isoquinolin-5-yl)-3H-2-benzofuran-1-one's InChIKey is recorded as JZUTXVTYJDCMDU-GGYWPGCISA-N[5].
  • (3S)-6,7-dimethoxy-3-(6-methyl-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]isoquinolin-5-yl)-3H-2-benzofuran-1-one's chemical formula is recorded as C₂₁H₂₁NO₆[6].
  • (3S)-6,7-dimethoxy-3-(6-methyl-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]isoquinolin-5-yl)-3H-2-benzofuran-1-one's subclass of is recorded as isoquinoline alkaloid[7].
  • (3S)-6,7-dimethoxy-3-(6-methyl-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]isoquinolin-5-yl)-3H-2-benzofuran-1-one's subclass of is recorded as biogenic isobenzofuran[8].
  • (3S)-6,7-dimethoxy-3-(6-methyl-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]isoquinolin-5-yl)-3H-2-benzofuran-1-one's PubChem CID is recorded as 371942[9].
  • (3S)-6,7-dimethoxy-3-(6-methyl-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]isoquinolin-5-yl)-3H-2-benzofuran-1-one's found in taxon is recorded as Hydrastis canadensis[10].
  • (3S)-6,7-dimethoxy-3-(6-methyl-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]isoquinolin-5-yl)-3H-2-benzofuran-1-one's isomeric SMILES is recorded as COc1ccc2c(c1OC)C(=O)O[C@@H]2C1c2cc3c(cc2CCN1C)OCO3[11].
  • (3S)-6,7-dimethoxy-3-(6-methyl-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]isoquinolin-5-yl)-3H-2-benzofuran-1-one's mass is recorded as {'unit': 'http://www.wikidata.org/entity/Q483261', 'amount': '+383.136887392'}[12].
  • (3S)-6,7-dimethoxy-3-(6-methyl-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]isoquinolin-5-yl)-3H-2-benzofuran-1-one's SureChEMBL ID is recorded as 29373424[13].
  • (3S)-6,7-dimethoxy-3-(6-methyl-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]isoquinolin-5-yl)-3H-2-benzofuran-1-one's UniChem compound ID is recorded as 580096[14].

References

Programmatic citations — every numbered marker resolves to a verifiable graph row below.

Direct Wikidata claims

  1. [2] ↑ . wikidata.org.
  2. [3] ↑ . wikidata.org.
  3. [4] ↑ . wikidata.org.
  4. [5] ↑ . wikidata.org.
  5. [6] ↑ . wikidata.org.
  6. [7] ↑ . wikidata.org.
  7. [8] ↑ . wikidata.org.
  8. [9] ↑ . PubChem. Retrieved . wikidata.org.
  9. [10] ↑ . Antitubercular natural products: berberine from the roots of commercial Hydrastis canadensis powder. Isolation of inactive 8-oxotetrahydrothalifendine, canadine, beta-hydrastine, and two new quinic acid esters, hycandinic acid esters-1 and -2.. wikidata.org.
  10. [11] ↑ . wikidata.org.
  11. [12] ↑ . wikidata.org.
  12. [13] ↑ . wikidata.org.
  13. [14] ↑ . UniChem. wikidata.org.

Class ancestry

  1. [1] ↑ . Wikidata. wikidata.org.

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Use these citations when quoting this entity in research, articles, AI prompts, or wherever provenance matters. We aggregate Wikidata + Wikipedia + authoritative open-data sources; the stitched, scored, cross-referenced view is what 4ort.xyz contributes.

APA 4ort.xyz Knowledge Graph. (2026). (3S)-6,7-dimethoxy-3-(6-methyl-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]isoquinolin-5-yl)-3H-2-benzofuran-1-one. Retrieved May 3, 2026, from https://4ort.xyz/entity/-3s-6-7-dimethoxy-3-6-methyl-7-8-dihydro-5h-1-3-dioxolo-4-5-g-isoquinolin-5-yl-3h-2-benzofuran-1-one
MLA “(3S)-6,7-dimethoxy-3-(6-methyl-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]isoquinolin-5-yl)-3H-2-benzofuran-1-one.” 4ort.xyz Knowledge Graph, 4ort.xyz, 3 May. 2026, https://4ort.xyz/entity/-3s-6-7-dimethoxy-3-6-methyl-7-8-dihydro-5h-1-3-dioxolo-4-5-g-isoquinolin-5-yl-3h-2-benzofuran-1-one.
BibTeX @misc{4ortxyz_-3s-6-7-dimethoxy-3-6-methyl-7-8-dihydro-5h-1-3-dioxolo-4-5-g-isoquinolin-5-yl-3h-2-benzofuran-1-one_2026, author = {{4ort.xyz Knowledge Graph}}, title = {{(3S)-6,7-dimethoxy-3-(6-methyl-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]isoquinolin-5-yl)-3H-2-benzofuran-1-one}}, year = {2026}, url = {https://4ort.xyz/entity/-3s-6-7-dimethoxy-3-6-methyl-7-8-dihydro-5h-1-3-dioxolo-4-5-g-isoquinolin-5-yl-3h-2-benzofuran-1-one}, note = {Accessed: 2026-05-03}}
LLM prompt According to 4ort.xyz Knowledge Graph (aggregator of Wikidata, Wikipedia, and authoritative open-data sources): (3S)-6,7-dimethoxy-3-(6-methyl-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]isoquinolin-5-yl)-3H-2-benzofuran-1-one — https://4ort.xyz/entity/-3s-6-7-dimethoxy-3-6-methyl-7-8-dihydro-5h-1-3-dioxolo-4-5-g-isoquinolin-5-yl-3h-2-benzofuran-1-one (retrieved 2026-05-03)

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