Basic information
- CAS
35688-47-2- Standard SMILES
CC1=CC(=O)c2c(C=O)c(O)c(O)c(C(C)C)c2C1=O- InChIKey
CERPPXZGSNEVMI-UHFFFAOYSA-N- Molecular formula
- C15H14O5
- Average molar mass
- 274.27 g/mol
- Monoisotopic mass
- 274.08412354
Overview
Hemigossypolone is a sesquiterpenoid.
Names & identifiers
- Preferred name
- Hemigossypolone
- IUPAC
- 2,3-dihydroxy-6-methyl-5,8-dioxo-4-propan-2-ylnaphthalene-1-carbaldehyde
- English name
- HEMIGOSSYPOLONE
- Molecular weight
- 0
Names & synonyms
Hemigossypolone35688-47-2DTXSID101891932,3-dihydroxy-6-methyl-5,8-dioxo-4-propan-2-ylnaphthalene-1-carbaldehyde2,3-dihydroxy-6-methyl-5,8-dioxo-4-(propan-2-yl)-5,8-dihydronaphthalene-1-carbaldehydeRefChem:145546DTXCID40111684NSC650936Para-HemigossypoloneCHEMBL1988313SCHEMBL29522683CHEBI:174602
Show more names
p-Hemigossypolone5,8-Dihydro-2,3-dihydroxy-6-methyl-4-isopropyl-5,8-dioxo-1-naphthalenecarbaldehyde2,3-Dihydroxy-4-isopropyl-5,8-dioxo-6-methyl-5,8-dihydro-1-naphthalenecarbaldehyde
NSC-650936NCI60_0177808-formyl-6,7-dihydroxy-5-isopropyl-3-methylnaphthoquinone5-Formyl-6,7-dihydroxy-8-isopropyl-2-methyl-1,4-naphthoquinone2,3-dihydroxy-4-isopropyl-6-methyl-5,8-dioxo-naphthalene-1-carbaldehyde2,3-Dihydroxy-4-isopropyl-6-methyl-5,8-dioxo-5,8-dihydro-1-naphthalenecarbaldehyde5,8-Dihydro-2,3-dihydroxy-6-methyl-4-(1-methylethyl)-5,8-dioxo-1-naphthalenecarboxaldehyde, 9CI
Database identifiers
- CAS
35688-47-2- PubChem CID
Properties
Computed structural properties
- XLogP
- 2.3
- Topological polar surface area
- 91.7 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 2
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 479
Experimental & physicochemical properties
SpringerMaterials PropertiesBoiling point
Melting Point166.5 - 169 °C
Physical DescriptionSolid
Chemistry & industry
Pharmacology
Cellular LocationsMembrane
Applications
DescriptionHemigossypolone is a terpenoid aldehyde.
Additional notes
DefinitionChEBI: Hemigossypolone is a sesquiterpenoid.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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