Rubimaillin
A benzochromene that is 2H-benzo[h]chromene which is substituted by two methyl groups at position 2, a methoxycarbonyl group at position 5, and a hydroxy group at position 6. Found in the Chinese medical plant Rubia cordifola, It has an anti-cancer effect by inhibition of TNF-α-induced NF-κB activation. It is also a dual inhibitor of acyl-CoA:cholesterol acyltransferase 1 and 2 (ACAT1 and ACAT2), but is more selective for the ACAT2 isozyme. — ChEBI
Safety documents & references
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Identity & molecular properties
Source-linked values| CAS number | 55481-88-4 | ChEBI ↗ |
| Molecular formula | C17H16O4 | ChEBI ↗ |
| Molar mass | 284.311 g/mol | ChEBI ↗ |
| Monoisotopic mass | 284.10486 Da | ChEBI ↗ |
| Formal charge | 0 | ChEBI ↗ |
| ChEBI identifier | CHEBI:141063 | ChEBI ↗ |
Cross-source molecular data
PubChem| Molar mass | 284.31 g/mol | PubChem ↗ |
| Exact mass | 284.10485899 Da | PubChem ↗ |
| Computed XLogP | 4.1 | PubChem ↗ |
| Topological polar surface area (Ų) | 55.8 | PubChem ↗ |
| H-bond donors | 1 | PubChem ↗ |
| H-bond acceptors | 4 | 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 identifierrubimaillinmethyl 6-hydroxy-2,2-dimethyl-2H-benzo[h]chromene-5-carboxylateVLGATXOTCNBWIT-UHFFFAOYSA-NCOC(=O)c1c2c(c3ccccc3c1O)OC(C)(C)C=C2InChI=1S/C17H16O4/c1-17(2)9-8-12-13(16(19)20-3)14(18)10-6-4-5-7-11(10)15(12)21-17/h4-9,18H,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 284.311 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.