Basic information
- CAS
25414-26-0- Standard SMILES
Cc1c(C(=O)CCC(C)C)cc2c(c1O)C(=O)C(=O)c1c(O)cccc1-2- InChIKey
UJTRABFYSZAGLW-UHFFFAOYSA-N- Molecular formula
- C21H20O5
- Average molar mass
- 352.4 g/mol
- Monoisotopic mass
- 352.13107373
Overview
Piloquinone is a member of phenanthrenes.
Names & identifiers
- Preferred name
- Piloquinone
- IUPAC
- 1,8-dihydroxy-2-methyl-3-(4-methylpentanoyl)phenanthrene-9,10-dione
- English name
- 1,8-Dihydroxy-2-methyl-3-(4-methyl-1-oxopentyl)-9,10-phenanthrenedione
- Molecular formula
- C21H20O5
- Molecular weight
- 352.38
Names & synonyms
Piloquinone25414-26-01,8-dihydroxy-2-methyl-3-(4-methylpentanoyl)phenanthrene-9,10-dione9,10-Phenanthrenedione, 1,8-dihydroxy-2-methyl-3-(4-methyl-1-oxopentyl)-orb3024423SCHEMBL29883942CHEBI:198573UJTRABFYSZAGLW-UHFFFAOYSA-NGLXC-22785HY-N146781,8-Dihydroxy-2-methyl-3-(4-methyl-1-oxopentyl)-9,10-phenanthrenedioneTN10498
Show more names
1,8-Dihydroxy-2-methyl-3-(4-methylpentanoyl)-9,10-phenanthrenedione #
Database identifiers
- CAS
25414-26-0- PubChem CID
- 624669
- ChEBI
CHEBI:198573- Nikkaji
- J20.035B
Properties
Computed structural properties
- XLogP
- 4.7
- Topological polar surface area
- 91.7 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 4
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 583
Chemistry & industry
Suppliers2 total
TargetMol 中国（陶术生物）400-821-0310 15002144251 · [email protected]
浙江珲达生物科技有限公司0571-89903022 18679456698 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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