Khellin
A furanochrome in which the basic tricyclic skeleton is substituted at positions 4 and 9 with methoxy groups and at position 7 with a methyl group. A major constituent of the plant Ammi visnaga it is a herbal folk medicine used for various illnesses, its main effect being as a vasodilator. — ChEBI
Safety documents & references
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Identity & molecular properties
Source-linked values| CAS number | 82-02-0 | ChEBI ↗ |
| Molecular formula | C14H12O5 | ChEBI ↗ |
| Molar mass | 260.245 g/mol | ChEBI ↗ |
| Monoisotopic mass | 260.06847 Da | ChEBI ↗ |
| Formal charge | 0 | ChEBI ↗ |
| ChEBI identifier | CHEBI:6133 | ChEBI ↗ |
Cross-source molecular data
PubChem| Molar mass | 260.24 g/mol | PubChem ↗ |
| Exact mass | 260.06847348 Da | PubChem ↗ |
| Computed XLogP | 2.3 | PubChem ↗ |
| Topological polar surface area (Ų) | 57.9 | PubChem ↗ |
| H-bond donors | 0 | PubChem ↗ |
| H-bond acceptors | 5 | PubChem ↗ |
| Rotatable bonds | 2 | PubChem ↗ |
PubChem computed values are shown separately from the ChEBI record. An exact InChIKey match was used to connect the records. Molecular descriptors do not describe a supplied product’s purity, particle size or performance.
Names & structural identifiers
Copy any identifierkhellin4,9-dimethoxy-7-methyl-5H-furo[3,2-g]chromen-5-oneHSMPDPBYAYSOBC-UHFFFAOYSA-NCOc1c2occc2c(OC)c2c(=O)cc(C)oc12InChI=1S/C14H12O5/c1-7-6-9(15)10-11(16-2)8-4-5-18-12(8)14(17-3)13(10)19-7/h4-6H,1-3H3Names & synonyms
Names are supplied by ChEBI. Trade names and related synonyms may describe a broader product context.
Classification & relationships
ChEBI ontologyRoles recorded in ChEBI
Database role annotations describe reported biological or chemical roles; they are not product approvals or recommendations for use.
Mass ↔ amount of substance
Calculated from sourced massUses 260.245 g/mol from ChEBI. Assumes the substance described by this record; no purity or concentration correction is applied.
Elemental composition
Theoretical mass fractionsCOHCalculated theoretical mass fractions from the reported formula and PubChem periodic-table atomic masses. These are not assay or purity results.
Research & patent references
Selected source associationsSources & record history
Checked 27 Sep 2026Release 255, 9 September 2026. ChEBI three-star (manually annotated) source entry. View original record ↗ · CC BY 4.0
PubCAS formats source data, connects references and computes explicitly labelled conversions. CAS cross-references are supplied by ChEBI; they do not constitute CAS verification or endorsement.