Basic information
- CAS
132971-63-2- Standard SMILES
Cc1cc2c(c(O)c1C(=O)O)-c1c(cc3c(c1O)C(=O)c1cc(O)cc(O)c1C3=O)[C@H](O)[C@H]2O- InChIKey
ROFMCMXCPNFONV-SFTDATJTSA-N- Molecular formula
- C24H16O10
- Average molar mass
- 464.4 g/mol
- Monoisotopic mass
- 464.0743467
Overview
11-O-Demethylpradinone I is a member of p-quinones and a member of tetracenes.
Names & identifiers
- Preferred name
- 11-O-Demethylpradinone I
- IUPAC
- (5S,6S)-1,5,6,9,11,14-hexahydroxy-3-methyl-8,13-dioxo-5,6-dihydrobenzo[a]tetracene-2-carboxylic acid
- English name
- Pradimicin M
- Molecular formula
- C24H16O10
- Molecular weight
- 464.38
Names & synonyms
Pradimicin M11-O-Demethylpradinone I132971-63-2(5S,6S)-1,5,6,9,11,14-hexahydroxy-3-methyl-8,13-dioxo-5,6-dihydrobenzo[a]tetracene-2-carboxylic acidAC1Q6ORPAC1L2K3VCHEBI:723DTXSID80157884C06775Q27105343(5S,6S)-1,5,6,9,11,14-Hexahydroxy-3-methyl-8,13-dioxo-5,6,8,13-tetrahydrobenzo[a]tetracene-2-carboxylic acidBenzo[a]naphthacene-2-carboxylic acid, 5,6,8,13-tetrahydro-1,5,6,9,11,14-hexahydroxy-3-methyl-8,13-dioxo-, (5S,6S)-
Database identifiers
- CAS
132971-63-2- PubChem CID
- 73574
- DTXSID
DTXSID80157884- ChEBI
CHEBI:723- Nikkaji
- J534.403D
Properties
Computed structural properties
- XLogP
- 2.7
- Topological polar surface area
- 193 Ų
- Hydrogen bond donors
- 7
- Hydrogen bond acceptors
- 10
- Rotatable bonds
- 1
- Heavy atoms
- 34
- Formal charge
- 0
- Complexity
- 876
Chemistry & industry
Suppliers1 total
CHEMICAL LAND21[email protected]
Additional notes
DefinitionChEBI: 11-O-Demethylpradinone I is a member of tetracenes and a member of p-quinones.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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