Basic information
- CAS
10180-86-6- Standard SMILES
C=C1C(=O)OC2CC(C)C3C=CC(=O)C3(C)C(OC(C)=O)C12- InChIKey
DCNRYQODUSSOKC-UHFFFAOYSA-N- Molecular formula
- C17H20O5
- Average molar mass
- 304.34 g/mol
- Monoisotopic mass
- 304.13107373
Overview
4a,8-Dimethyl-3-methylidene-2,5-dioxo-2,3,3a,4,4a,5,7a,8,9,9a-decahydroazuleno[6,5-b]furan-4-yl acetate has been reported in Helenium radiatum, Balduina uniflora, and Arnica montana with data available.
Names & identifiers
- Preferred name
- 4a,8-Dimethyl-3-methylidene-2,5-dioxo-2,3,3a,4,4a,5,7a,8,9,9a-decahydroazuleno(6,5-b)furan-4-yl acetate
- IUPAC
- (5,8a-dimethyl-1-methylidene-2,8-dioxo-3a,4,5,5a,9,9a-hexahydroazuleno[6,5-b]furan-9-yl) acetate
- English name
- Nsc166124
- Molecular formula
- C17H20O5
- Molecular weight
- 304.3377
Names & synonyms
DTXSID209752814a,8-dimethyl-3-methylidene-2,5-dioxo-2,3,3a,4,4a,5,7a,8,9,9a-decahydroazuleno[6,5-b]furan-4-yl acetate(5,8a-dimethyl-1-methylidene-2,8-dioxo-3a,4,5,5a,9,9a-hexahydroazuleno[6,5-b]furan-9-yl) acetate4a,8-Dimethyl-3-methylidene-2,5-dioxo-2,3,3a,4,4a,5,7a,8,9,9a-decahydroazuleno(6,5-b)furan-4-yl acetateRefChem:296699DTXCID90212892(5,8a-dimethyl-1-methylidene-2,8-dioxo-3a,4,5,5a,9,9a-hexahydroazuleno(6,5-b)furan-9-yl) acetate6-O-Acetylmexicanin I(3aR)-2,3,3a,4,4a,5,7aalpha,8,9,9aalpha-Decahydro-4abeta,8alpha-dimethyl-3-methylene-4beta-acetoxyazuleno[6,5-b]furan-2,5-dioneNSC153859NSC166124NSC-153859
Show more names
AngustibalinHelanin acetateHelenalin AcetateAzuleno[6,5-B]furan-2,5-dione, 4-(acetyloxy)-3,3A,4,4A,7A,8,9,9A-octahydro-4A,8-dimethyl-3-methylene-, [3ar-(3A.alpha.,4.alpha.,4A.beta.,7A.alpha.,8.alpha.,9A.alpha.)]-
NSC-166124Azuleno[6,5-dione, 4-(acetyloxy)-3,3a,4,4a,7a,8,9,9a-octahydro-4a,8-dimethyl-3-methylene-, [3aR-(3a.alpha.,4.alpha.,4a.beta.,7a.alpha.,8.alpha.,9a.alpha.)]-
Properties
Computed structural properties
- XLogP
- 2
- Topological polar surface area
- 69.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 2
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 604
Physicochemical properties
- form
- Solid
- color
- White to off-white
Chemistry & industry
Applications
DescriptionHelenalin Acetate is an anti-inflammatory and anti-cancer agent, disrupting the cooperation of CCAAT-box/enhancer-binding protein beta (C/EBP) and co-activator p300.
UsesHelenalin acetate, a natural NF-κB inhibitor, is a potent C/EBPβ inhibitor. Helenalin acetate has anti-inflammatory and anticancer activities[1].
Suppliers6 total
United Life Science020-82099279 18988968278 · [email protected]
上海陶术生物科技股份有限公司+1-781-999-5354; +1-00000000000 · [email protected]
上海陶术生物科技股份有限公司13564774135 · [email protected]
成都标样生物科技有限公司028-81700200 13308200041 · [email protected]
上海一飞生物科技有限公司021-65675885 18964387627 · [email protected]
TargetMol中国（陶术生物）15002134094 · [email protected]
Additional notes
DefinitionChEBI: Angustibalin is a sesquiterpene lactone.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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