Basic information
- CAS
116249-66-2- Standard SMILES
COc1cc(O)c2c(c1)C(=O)c1c(cc3c(c1O)-c1c(cc(C)c(C(=O)N[C@H](C)C(=O)O)c1O)[C@H](O[C@@H]1O[C@H](C)[C@H](N)[C@H](O[C@@H]4OC[C@@H](O)[C@H](O)[C@H]4O)[C@H]1O)[C@H]3O)C2=O- InChIKey
IHIIRQILYAXIOH-NUVDETJMSA-N- Molecular formula
- C39H42N2O18
- Average molar mass
- 826.8 g/mol
- Monoisotopic mass
- 826.24326249
Overview
Pradimicin C is a polyketide, a polyphenol, an aromatic ether, a secondary alcohol, a disaccharide derivative, a pradimicin and a L-alanine derivative. It is functionally related to a D-alanine.
Names & identifiers
- Preferred name
- Benanomicin B
- IUPAC
- (2R)-2-[[(5S,6S)-5-[(2S,3R,4S,5S,6R)-5-amino-3-hydroxy-6-methyl-4-[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxyoxan-2-yl]oxy-1,6,9,14-tetrahydroxy-11-methoxy-3-methyl-8,13-dioxo-5,6-dihydrobenzo[a]tetracene-2-carbonyl]amino]propanoic acid
- English name
- Benanomicin B
- Molecular formula
- C39H42N2O18
- Molecular weight
- 826.75
Names & synonyms
Benanomicin BPradimicin C116249-66-22AEY6X9QC2CHEBI:8351DTXSID001317618(2R)-2-[[(5S,6S)-5-[(2S,3R,4S,5S,6R)-5-amino-3-hydroxy-6-methyl-4-[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxyoxan-2-yl]oxy-1,6,9,14-tetrahydroxy-11-methoxy-3-methyl-8,13-dioxo-5,6-dihydrobenzo[a]tetracene-2-carbonyl]amino]propanoic acidD-Alanine, N-((5-((4-amino-4,6-dideoxy-3-O-beta-D-xylopyranosyl-beta-D-galactopyranosyl)oxy)-5,6,8,13-tetrahydro-1,6,9,14-tetrahydroxy-11-methoxy-3-methyl-8,13-dioxobenzo(a)naphthacen-2-yl)carbonyl)-(2R)-2-(((5S,6S)-5-((2S,3R,4S,5S,6R)-5-amino-3-hydroxy-6-methyl-4-((2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl)oxyoxan-2-yl)oxy-1,6,9,14-tetrahydroxy-11-methoxy-3-methyl-8,13-dioxo-5,6-dihydrobenzo(a)tetracene-2-carbonyl)amino)propanoic acidRefChem:116945DTXCID5017474242-(((5S,6S)-5-((2S,3R,4S,5S,6R)-5-amino-3-hydroxy-6-methyl-4-((2S,3R,4S,5R)-3,4,5-trihydroxytetrahydropyran-2-yl)oxy-tetrahydropyran-2-yl)oxy-1,6,9,14-tetrahydroxy-11-methoxy-3-methyl-8,13-dioxo-5,6-dihydrobenzo(a)tetracene-2-carbonyl)amino)propanoic acid
Properties
Computed structural properties
- XLogP
- -2.4
- Topological polar surface area
- 335 Ų
- Hydrogen bond donors
- 11
- Hydrogen bond acceptors
- 19
- Rotatable bonds
- 8
- Heavy atoms
- 59
- Formal charge
- 0
- Complexity
- 1,590
Physicochemical properties
- storage temp.
- -20 °C · -20°C
- solubility
- DMSO: Soluble
- form
- A solid
- FDA UNII
- 2 AEY6X9QC2 · 2AEY6X9QC2
Chemistry & industry
Applications
UsesBenanomicin B (Pradimicin C) is an antifungal antibiotic that also has antibacterial activity against two Gram-positive bacteria: Micrococcus luteus and Corynebacterium bovis[1].
Suppliers2 total
浙江珲达生物科技有限公司0571-89903022 18679456698 · [email protected]
上海一飞生物科技有限公司021-65675885 18964387627 · [email protected]
Additional notes
DefinitionChEBI: A member of the class of pradimicins that is isolated from the cultured broth of Actinomadura hibisca No. P157-2 (ATCC 53557).
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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