Basic information
- CAS
518-80-9- Standard SMILES
Cc1cc(O)c2c(c1)C(=O)c1c(O)ccc(O)c1C2=O- InChIKey
YOOXNSPYGCZLAX-UHFFFAOYSA-N- Molecular formula
- C15H10O5
- Average molar mass
- 270.24 g/mol
- Monoisotopic mass
- 270.05282342
Overview
helminthosporin has been reported in Ramularia uredinicola, Berchemia floribunda, and other organisms with data available.
Names & identifiers
- Preferred name
- 1,5,8-Trihydroxy-3-methyl-9,10-anthracenedione
- IUPAC
- 1,5,8-trihydroxy-3-methylanthracene-9,10-dione
- English name
- HELMINTHOSPORIN
- Molecular formula
- C15H10O5
- Molecular weight
- 270.24
Names & synonyms
518-80-9MCD0C88HYI1,5,8-Trihydroxy-3-methylanthraquinoneDTXSID701997389,10-Anthracenedione, 1,5,8-trihydroxy-3-methyl-1,5,8-Trihydroxy-3-methyl-9,10-anthracenedioneRefChem:1053404DTXCID30122229Helminthosporin1,5,8-trihydroxy-3-methylanthracene-9,10-dione3-METHYL-1,5,8-TRIHYDROXYANTHRAQUINONENSC-132600
Show more names
1,5,8-trihydroxy-3-methyl-9,10-anthraquinone1,5,8-trihydroxy-3-methyl-anthracene-9,10-dione
Anthraquinone, 1,5,8-trihydroxy-3-methyl-UNII-MCD0C88HYINSC132600NSC 132600SCHEMBL9170655SCHEMBL293596809, 1,5,8-trihydroxy-3-methyl-1,5,8-TRIHYDROXY-3-METHYL-9,10-DIHYDROANTHRACENE-9,10-DIONE
Database identifiers
- CAS
518-80-9- PubChem CID
- 97560
- DTXSID
DTXSID70199738- UNII
- MCD0C88HYI
- Nikkaji
- J11.587H
Properties
Computed structural properties
- XLogP
- 3.3
- Topological polar surface area
- 94.8 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 0
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 434
Physicochemical properties
- FDA UNII
- 0 C88HYI · MCD0C88HYI
Chemistry & industry
Suppliers1 total
Alfa Chemistry+1-5166625404 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…