Basic information
- CAS
87697-99-2- Standard SMILES
O=C(OC[C@H](OC(=O)c1ccc(O)cc1)[C@@H](COC(=O)c1ccc(O)cc1)OC(=O)c1ccc(O)cc1)c1ccc(O)cc1- InChIKey
UFYXGHSICNSXJL-HNRBIFIRSA-N- Molecular formula
- C32H26O12
- Average molar mass
- 602.5 g/mol
- Monoisotopic mass
- 602.14242626
Overview
Kelletinin I has been reported in Kelletia kelletii with data available.
Names & identifiers
- Preferred name
- Kelletinin I
- IUPAC
- [(2S,3R)-2,3,4-tris[(4-hydroxybenzoyl)oxy]butyl] 4-hydroxybenzoate
- English name
- kelletinin I
- Molecular formula
- C32H26O12
- Molecular weight
- 602.54164
Names & synonyms
Kelletinin I87697-99-2Erythrityl tetrakis (4-hydroxybenzoate)[(2S,3R)-2,3,4-tris[(4-hydroxybenzoyl)oxy]butyl] 4-hydroxybenzoateDTXSID20236561Benzoic acid, 4-hydroxy-, 1,2,3,4-butanetetrayl ester, (R*,S*)-((2S,3R)-2,3,4-tris((4-hydroxybenzoyl)oxy)butyl) 4-hydroxybenzoateRefChem:151084DTXCID50159052Benzoic acid,4-hydroxy-, (2R,3S)-1,2,3,4-butanetetrayl ester, rel- (9CI)orb1703278AKOS040745945
Show more names
[Erythrityl tetrakis(p-hydroxybenzoate)]CS-0066821T24260(2R,3S)-Butane-1,2,3,4-tetrayl tetrakis(4-hydroxybenzoate)Benzoic acid, 4-hydroxy-, (2R,3S)-1,2,3,4-butanetetrayl ester, rel-
Database identifiers
- CAS
87697-99-2- PubChem CID
- 73291
- DTXSID
DTXSID20236561- Nikkaji
- J2.405.119F
Properties
Computed structural properties
- XLogP
- 5.1
- Topological polar surface area
- 186 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 12
- Rotatable bonds
- 15
- Heavy atoms
- 44
- Formal charge
- 0
- Complexity
- 863
Chemistry & industry
Applications
DescriptionThe inhibitory effect of esters of p-hydroxybenzoic acid (kelletinins I and A), extracted from the marine gastropod Buccinulum corneum, have been tested on eukaryotic and prokaryotic enzymes of DNA metabolism such as DNA polymerases alpha and beta, DNA polymerase I, Exo III, pancreatic DNAse I, micrococcal DNAse and E. coli RNA polymerase. Kelletinin I and kelletinin A inhibit preferentially DNA polymerase alpha. The inhibitory effect of kelletinin I involves the hydroxyl group of p-hydroxybenzoic acid
Suppliers4 total
上海陶术生物科技股份有限公司+1-781-999-5354; +1-00000000000 · [email protected]
上海陶术生物科技股份有限公司13564774135 · [email protected]
TargetMol中国（陶术生物）15002134094 · [email protected]
上海梅凯科技有限公司15300790979 18964014359 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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