Basic information
- CAS
128700-84-5- Standard SMILES
C=C(C)C(=O)O[C@H]1C[C@@](C)(OC(C)=O)C(=O)CC[C@H](C)C[C@H]2OC(=O)C(=C)[C@H]12- InChIKey
HBRKQMNFEIZZOU-AGKHZPTMSA-N- Molecular formula
- C21H28O7
- Average molar mass
- 392.4 g/mol
- Monoisotopic mass
- 392.18350323
Overview
Lychnostatin 2 is a cyclic ketone, an acetate ester and a germacranolide. It has a role as a metabolite and an antineoplastic agent.
Names & identifiers
- Preferred name
- 2-Propenoic acid, 2-methyl-, (3aS,4S,6R,10S,11aR)-6-(acetyloxy)dodecahydro-6,10-dimethyl-3-methylene-2,7-dioxocyclodeca(b)furan-4-yl ester
- IUPAC
- [(3aS,4S,6R,10S,11aR)-6-acetyloxy-6,10-dimethyl-3-methylidene-2,7-dioxo-3a,4,5,8,9,10,11,11a-octahydrocyclodeca[b]furan-4-yl] 2-methylprop-2-enoate
- English name
- lychnostatin 2
- Molecular formula
- C21H28O7
- Molecular weight
- 392.44
Names & synonyms
Lychnostatin 2128700-84-5[(3aS,4S,6R,10S,11aR)-6-acetyloxy-6,10-dimethyl-3-methylidene-2,7-dioxo-3a,4,5,8,9,10,11,11a-octahydrocyclodeca[b]furan-4-yl] 2-methylprop-2-enoateCHEBI:66602DTXSID30155971(3aS,4S,6R,10S,11aR)-6-(acetyloxy)-6,10-dimethyl-3-methylidene-2,7-dioxododecahydrocyclodeca[b]furan-4-yl 2-methylprop-2-enoate2-Propenoic acid, 2-methyl-, 6-(acetyloxy)dodecahydro-6,10-dimethyl-3-methylene-2,7-dioxocyclodeca(b)furan-4-yl ester, (3aS-(3aR*,4R*,6S*,10R*,11aS*))-((3aS,4S,6R,10S,11aR)-6-acetyloxy-6,10-dimethyl-3-methylidene-2,7-dioxo-3a,4,5,8,9,10,11,11a-octahydrocyclodeca(b)furan-4-yl) 2-methylprop-2-enoate(3aS,4S,6R,10S,11aR)-6-(acetyloxy)-6,10-dimethyl-3-methylidene-2,7-dioxododecahydrocyclodeca(b)furan-4-yl 2-methylprop-2-enoateRefChem:910240DTXCID90784622-Propenoic acid, 2-methyl-, (3aS,4S,6R,10S,11aR)-6-(acetyloxy)dodecahydro-6,10-dimethyl-3-methylene-2,7-dioxocyclodeca(b)furan-4-yl ester
Show more names
2-Propenoic acid, 2-methyl-, (3aS,4S,6R,10S,11aR)-6-(acetyloxy)dodecahydro-6,10-dimethyl-3-methylene-2,7-dioxocyclodeca[b]furan-4-yl ester
Properties
Computed structural properties
- XLogP
- 3.1
- Topological polar surface area
- 96 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 5
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 722
Physicochemical properties
- Boiling point
- 526.6 · 526.6±50.0 °C(Predicted)
- Density
- 1.17 · 1.17±0.1 g/cm3(Predicted)
Chemistry & industry
Applications
UsesLychnostatin 2 exhibits cytotoxicity in cell P-388 with an ED50 of 0.19 μg/ml. Lychnostatin 2 can be used in research abour leukemia[1].
Suppliers1 total
济南思考化学有限公司0531-0000 · [email protected]
Additional notes
DefinitionChEBI: A germacranolide isolated from Lychnophora antillana and has been shown to exhibit antineoplastic activity.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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