Basic information
- CAS
124190-19-8- Standard SMILES
COc1cc(O)c2c3c(c(O)cc(C)c13)C(=O)C(O)(CC(C)=O)C2=O- InChIKey
LJOMNUOFKLTARM-UHFFFAOYSA-N- Molecular formula
- C18H16O7
- Average molar mass
- 344.3 g/mol
- Monoisotopic mass
- 344.08960285
Names & identifiers
- Preferred name
- 2-Acetonyl-2,4,9-trihydroxy-6-methoxy-7-methyl-1H-phenalene-1,3(2H)-dione
- IUPAC
- 2,4,9-trihydroxy-6-methoxy-7-methyl-2-(2-oxopropyl)phenalene-1,3-dione
- English name
- FR 901235
- Molecular formula
- C18H16O7
- Molecular weight
- 344.31544
Names & synonyms
2-Acetonyl-2,4,9-trihydroxy-6-methoxy-7-methyl-1H-phenalene-1,3(2H)-dioneRefChem:9094682,4,9-trihydroxy-6-methoxy-7-methyl-2-(2-oxopropyl)phenalene-1,3-dione1H-phenalene-1,3(2H)-dione, 2,4,9-trihydroxy-6-methoxy-7-methyl-2-(2-oxopropyl)-, (-)-orb1700561CHEMBL4210155SCHEMBL16226489DTXSID70924744AKOS040748390(-)-2,4,9-Trihydroxy-6-methoxy-7-methyl-2-(2-oxopropyl)-1H-phenalene-1,3(2H)-dioneDA-73553HY-121431
Show more names
FR 901235
CS-0082023T273682-acetonyl-2,4,9-trihydroxy-6-methoxy-7-methyl-phenalene-1,3-dione2,4,9-Trihydroxy-6-methoxy-7-methyl-2-(2-oxopropyl)-1H-phenalene-1,3(2H)-dione
Database identifiers
- CAS
124190-19-8- PubChem CID
- 72243
- DTXSID
DTXSID70924744- ChEMBL
CHEMBL4210155- Nikkaji
- J3.757.774J
Properties
Computed structural properties
- XLogP
- 2.8
- Topological polar surface area
- 121 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 3
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 602
Physicochemical properties
- Boiling point
- 681.8 · 681.8±55.0 °C(Predicted)
- Density
- 1.501 · 1.501±0.06 g/cm3(Predicted)
- pka
- 6.86 · 6.86±0.40(Predicted)
Chemistry & industry
Applications
DescriptionFR-901235 is a new type of immunoactive substance produced by an imperfect fungus, Paecilomyces carneus F-4882. The mitogen-induced lymphocyte proliferation which had been suppressed by addition of immunosuppressive factor, was restored to a normal level by the addition of FR-901235.
UsesFR-901235 is a new type of immunoactive substance produced by an imperfect fungus, Paecilomyces carneus F-4882. FR-901235 partially restored the impaired delayed-type hypersensitivity to sheep red blood cells in tumor-bearing mice[1].
Suppliers3 total
上海陶术生物科技股份有限公司+1-781-999-5354; +1-00000000000 · [email protected]
BOC Sciences16314854226; +8616314854226 · [email protected]
TargetMol中国（陶术生物）15002134094 · [email protected]
Related reactions
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Compound notes
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