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Ochracenomicin A

CAT: 0804-HY-N14315Size: 1 EachDry Ice: NoHazardous: No
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Description
Ochracenomicin A has a strong effect against Gram-positive bacteria (including MRSA strain), and also against Gram-negative bacteria and candida albicans[1].
CAS Number
164230-62-0
UNSPSC
12352005
Target
Bacterial
Related Pathways
Anti-infection
Applications
COVID-19-immunoregulation
Field of Research
Infection
Smiles
O=C1C(C=CC(CC(C2)C)3O)=C(C(C4=C1C(O)=CC=C4)=O)C3(O)C2=O
Molecular Formula
C19H16O6
Molecular Weight
340.33
References & Citations
[1]M Igarashi, et al. Ochracenomicins A, B and C, new benz[a]anthraquinone antibiotics from Amicolatopsis sp. J Antibiot (Tokyo) . 1995 Apr;48 (4) :335-7.
Shipping Conditions
Room temperature
Scientific Category
Natural Products
Clinical Information
No Development Reported

Chemical Information

Ochracenomicin A

Ochracenomicin A is an angucycline antibiotic that is 3,4,4a,12b-tetrahydrotetraphene-1,7,12(2H)-trione substituted by hydroxy groups at positions 4a, 8 and 12b and a methyl group at position 3. It is isolated from the culture broth of Amycolatopsis sp.MJ950-89F4 and exhibits a broad spectrum of antibacterial potential. It has a role as an antibacterial agent. It is a tertiary alpha-hydroxy ketone, a member of p-quinones, a member of phenols and an angucycline antibiotic.

CAS Number164230-62-0
PubChem CID10472401
IUPAC Name4a,8,12b-trihydroxy-3-methyl-3,4-dihydro-2H-benzo[a]anthracene-1,7,12-trione
Molecular FormulaC19H16O6
Molecular Weight340.3
XLogP1
Topological Polar Surface Area112
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count6
Rotatable Bond Count0
Heavy Atom Count25
Formal Charge0
Complexity749
SMILES
CC1CC(=O)C2(C3=C(C=CC2(C1)O)C(=O)C4=C(C3=O)C=CC=C4O)O
InChI
InChI=1S/C19H16O6/c1-9-7-13(21)19(25)15-11(5-6-18(19,24)8-9)16(22)14-10(17(15)23)3-2-4-12(14)20/h2-6,9,20,24-25H,7-8H2,1H3
InChIKey
HRKDTQUJICJRIH-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Ochracenomicin A
CAS: 164230-62-0
CID: 10472401
Formula: C19H16O6
MW: 340.3
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight340.3
XLogP31
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count6
Rotatable Bond Count0
Exact Mass340.09468823
Monoisotopic Mass340.09468823
Topological Polar Surface Area112 Ų
Heavy Atom Count25
Formal Charge0
Complexity749
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count3
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Alternative Products

CatalogName
TN11343-01Ochracenomicin A
TN10889-01Ochracenomicin C
TN10828-01Ochracenomicin B

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