Basic information
- CAS
69431-87-4- Standard SMILES
CC(=O)C1C(C)=CC(=O)c2c1c(-c1c3c(c(O)c4c(O)cccc14)C(=O)CC(C)(O)C3C(C)=O)c1cccc(O)c1c2O- InChIKey
BIEJOJJMQZEKED-UHFFFAOYSA-N- Molecular formula
- C34H28O9
- Average molar mass
- 580.6 g/mol
- Monoisotopic mass
- 580.17333247
Overview
Setomimycin is a lignan.
Names & identifiers
- Preferred name
- Setomimycin
- IUPAC
- 4-acetyl-10-(1-acetyl-2,5,10-trihydroxy-2-methyl-4-oxo-1,3-dihydroanthracen-9-yl)-8,9-dihydroxy-3-methyl-4H-anthracen-1-one
- English name
- 1,1'-Diacetyl-2,3-dihydro-2,5,5',10,10'-pentahydroxy-2,2'-dimethyl[9,9'-bianthracene]-4,4'(1H,1'H)-dione
- Molecular formula
- C34H28O9
- Molecular weight
- 580.58
Names & synonyms
Setomimycin69431-87-44-acetyl-10-(1-acetyl-2,5,10-trihydroxy-2-methyl-4-oxo-1,3-dihydroanthracen-9-yl)-8,9-dihydroxy-3-methyl-4H-anthracen-1-one(9,9'-Bianthracene)-4,4'(1H,1'H)-dione, 1,1'-diacetyl-2,3-dihydro-2,5,5',10,10'-pentahydroxy-2,2'-dimethyl-RefChem:931660Antibiotic AM 2947AM 294772484-73-2Antibiotic A 39183B1,1'-Diacetyl-2,3-dihydro-2,5,5',10,10'-pentahydroxy-2,2'-dimethyl[9,9'-bianthracene]-4,4'(1H,1'H)-dioneAM-2947BRN 5202658
Show more names
AM2947A-39183BAntibiotic A-39183BSetoMiMycin [SetoMiMicin][9,9'-Bianthracene]-4,4'(1H,1'H)-dione, 1,1'-diacetyl-2,3-dihydro-2,5,5',10,10'-pentahydroxy-2,2'-dimethyl- (9CI)
orb1701585SCHEMBL29885040DTXSID40989284CHEBI:223714MFCD01939963AKOS040747478(9,9'-Bianthracene)-4,4'(1H,1'H)-dione, 2,3-dihydro-1,1'-diacetyl-2,2'-dimethyl-2,5,5',10,10'-pentahydroxy-HY-124439
Properties
Computed structural properties
- XLogP
- 4.6
- Topological polar surface area
- 169 Ų
- Hydrogen bond donors
- 5
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 3
- Heavy atoms
- 43
- Formal charge
- 0
- Complexity
- 1,230
Physicochemical properties
- Boiling point
- 765.2 · 765.2±60.0 °C(Predicted)
- Density
- 1.479 · 1.479±0.06 g/cm3(Predicted)
- storage temp.
- -20 °C · Store at -20°C
- solubility
- Chloroform: soluble; DMSO: soluble
- form
- A solid
- pka
- 3.61 · 3.61±0.60(Predicted)
Chemistry & industry
Applications
UsesSetomimycin is a rare 9,9’-bianthryl antibiotic first isolated from a strain of Streptomyces pseudovenezuelae by Omura and colleagues at the Kitasato Institute, Japan, in 1978. Setomimycin is active against Gram positive bacteria, including mycobacteria, and has antitumor activity both in vitro and in vivo. Limited access has restricted further research on this metabolite.
UsesSetomimycin is an antibiotic that is active against Gram positive bacteria, including mycobacteria.
Suppliers13 total
上海赛可锐生物科技有限公司021-58000709 13120558703 · [email protected]
孟成科技（上海）有限公司400-820-6829 · [email protected]
上海维亦特生物科技有限公司15317051735 · [email protected]
上海陶术生物科技股份有限公司+1-781-999-5354; +1-00000000000 · [email protected]
上海一飞生物科技有限公司021-65675885 18964387627 · [email protected]
西安莱茵生物科技有限公司86-(0)29-85992781 17792393971 · [email protected]
Novachemistry44-20819178-90 02081917890 · [email protected]
上海宏叶生物科技有限公司400-9205774 400-920-5774 · [email protected]
深圳聚合生化科技有限公司+86-400-002-6226 13028896684 · [email protected]
TargetMol中国（陶术生物）4008200310 15002144251 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…