icaceine

chemical compound

ChemicalSubstance group_of_stereoisomers Q27106913

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icaceine

Summary

icaceine is a group of stereoisomers^[1].

Key Facts

icaceine's instance of is recorded as group of stereoisomers^[2].
icaceine's canonical SMILES is recorded as CC12CCC(C3(C1C(C=C4C2CCC5(C4OCC5N(C)C)C)OC3=O)C)O^[3].
icaceine's chemical formula is recorded as C₂₂H₃₃NO₄^[4].
icaceine is a type of chemical compound^[5].
icaceine's isomeric SMILES is recorded as C[C@]12CCC@@HO^C@@HO">[6].
icaceine's mass is recorded as {'unit': 'http://www.wikidata.org/entity/Q483261', 'amount': '+375.240959'}^[7].

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Quick Facts

Instance of group of stereoisomers

Subclass of chemical compound

Properties

Canonical smiles CC12CCC(C3(C1C(C=C4C2CCC5(C4OCC5N(C)C)C)OC3=O)C)O

Chemical formula C₂₂H₃₃NO₄

Isomeric smiles C[C@]12CC[C@@H]([C@]3([C@@H]1[C@@H](C=C4C2CCC5(C4OCC5N(C)C)C)OC3=O)C)O

Mass +375.240959

External References (12)

Cas registry number 74991-71-2

Chebi id 5858

Chemspider id 390340

Dsstox compound identifier DTXCID90282712

Dsstox substance id DTXSID90331618

Inchi InChI=1S/C22H33NO4/c1-20-9-7-16(24)22(3)17(20)14(27-19(22)25)10-12-13(20)6-8-21(2)15(23(4)5)11-26-18(12)21/h10,13-18,24H,6-9,11H2,1-5H3/t13?,14-,15?,16+,17-,18?,20-,21?,22+/m1/s1

Inchikey MRVMMDQTZLIFLF-IQTYJBGDSA-N

Kegg id C08689

Knapsack id C00001645

Pubchem cid 441738

Reaxys registry number 6533368

Unichem compound id 1073154

🏷️ Also known as

en icaceine

References

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

Direct Wikidata claims

[2] ↑ icaceine — instance of (P31): group of stereoisomers. wikidata.org.
[3] ↑ icaceine — canonical SMILES (P233): CC12CCC(C3(C1C(C=C4C2CCC5(C4OCC5N(C)C)C)OC3=O)C)O. PubChem. Retrieved 2016-10-05. wikidata.org.
[4] ↑ icaceine — chemical formula (P274): C₂₂H₃₃NO₄. PubChem. Retrieved 2016-10-05. wikidata.org.
[5] ↑ icaceine — subclass of (P279): chemical compound. wikidata.org.
[6] ↑ icaceine — isomeric SMILES (P2017): C[C@]12CC[C@@H]([C@]3([C@@H]1[C@@H](C=C4C2CCC5(C4OCC5N(C)C)C)OC3=O)C)O. PubChem. Retrieved 2016-10-05. wikidata.org.
[7] ↑ icaceine — mass (P2067): {'unit': 'http://www.wikidata.org/entity/Q483261', 'amount': '+375.240959'}. PubChem. Retrieved 2016-10-05. wikidata.org.

Class ancestry

[1] ↑ icaceine is an instance of group of stereoisomers (Q59199015) [P31, primary]. Wikidata. wikidata.org.

📑 Cite this page

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). icaceine. Retrieved May 3, 2026, from https://4ort.xyz/entity/icaceine

MLA “icaceine.” 4ort.xyz Knowledge Graph, 4ort.xyz, 3 May. 2026, https://4ort.xyz/entity/icaceine.

BibTeX

@misc{4ortxyz_icaceine_2026, author = {{4ort.xyz Knowledge Graph}}, title = {{icaceine}}, year = {2026}, url = {https://4ort.xyz/entity/icaceine}, note = {Accessed: 2026-05-03}}

LLM prompt

According to 4ort.xyz Knowledge Graph (aggregator of Wikidata, Wikipedia, and authoritative open-data sources): icaceine — https://4ort.xyz/entity/icaceine (retrieved 2026-05-03)

Canonical URL: https://4ort.xyz/entity/icaceine · Last refreshed: May 3, 2026

Edit History

Rolling log of changes to this entity's Wikidata record. Values shown reflect the current state of each edited property — follow the history link to see the precise diff for any edit.

11w ago · Nabbegat · 2026-06-19 view diff on Wikidata ↗

Dsstox substance id → DTXSID90331618

Imported from → —

Kegg id → C08689

Instance of → group of stereoisomers

+ 16 other properties edited (see Wikidata diff for full list)

"/* wbeditentity-update-languages-short:0||tr */ QuickStatements 3.0 [[:toollabs:qs-dev/batch/37300|batch #37300]]"

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