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Antibiotic AB023a

CAT: 0804-HY-137084Size: 1 EachDry Ice: NoHazardous: No
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CAT#:0804-HY-137084Size:1 Each
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Description
Antibiotic AB023a is part of macrocyclic pentaene antibiotic complex, forming the main components with Antibiotic AB023b. Antibiotic AB023a exhibits antifungal activity against Candida albicans, and plant pathogenic fungi, Botrytis cinerea (MIC= 5 μg/mL), Fusarium moniliforme and Pythium ultimum[1][2].
CAS Number
141443-39-2
UNSPSC
12352005
Target
Antibiotic; Fungal
Type
Reference compound
Related Pathways
Anti-infection
Field of Research
Infection
Assay Protocol
https://www.medchemexpress.com/antibiotic-ab023a.html
Smiles
O=C1OC(C)C(C)/C=C/C=C/C=C/C=C/C=C/C(O)C(C)C(O)CC(O)CC(O)CCCC(O)CC(O)C1C
Molecular Formula
C31H50O8
Molecular Weight
550.72
References & Citations
[1]Cidaria D, et al., AB023, novel polyene antibiotics. I. Taxonomy of the producing organism, fermentation and antifungal activity. J Antibiot (Tokyo) . 1993 Feb;46 (2) :251-4.
Shipping Conditions
Room temperature
Scientific Category
Reference compound1
Clinical Information
No Development Reported

Chemical Information

4,6,10,12,14,16-Hexahydroxy-3,15,27,28-tetramethyl-1-oxacyclooctacosa-17,19,21,23,25-pentaen-2-one
CAS Number141443-39-2
PubChem CID192309
IUPAC Name4,6,10,12,14,16-hexahydroxy-3,15,27,28-tetramethyl-1-oxacyclooctacosa-17,19,21,23,25-pentaen-2-one
Molecular FormulaC31H50O8
Molecular Weight550.7
XLogP4.4
Topological Polar Surface Area148
Hydrogen Bond Donor Count6
Hydrogen Bond Acceptor Count8
Rotatable Bond Count0
Heavy Atom Count39
Formal Charge0
Complexity832
SMILES
CC1C=CC=CC=CC=CC=CC(C(C(CC(CC(CCCC(CC(C(C(=O)OC1C)C)O)O)O)O)O)C)O
InChI
InChI=1S/C31H50O8/c1-21-14-11-9-7-5-6-8-10-12-17-28(35)22(2)29(36)20-27(34)18-25(32)15-13-16-26(33)19-30(37)23(3)31(38)39-24(21)4/h5-12,14,17,21-30,32-37H,13,15-16,18-20H2,1-4H3
InChIKey
RXFPIRNYTBRDOG-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 4,6,10,12,14,16-Hexahydroxy-3,15,27,28-tetramethyl-1-oxacyclooctacosa-17,19,21,23,25-pentaen-2-one
CAS: 141443-39-2
CID: 192309
Formula: C31H50O8
MW: 550.7
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight550.7
XLogP34.4
Hydrogen Bond Donor Count6
Hydrogen Bond Acceptor Count8
Rotatable Bond Count0
Exact Mass550.35056855
Monoisotopic Mass550.35056855
Topological Polar Surface Area148 Ų
Heavy Atom Count39
Formal Charge0
Complexity832
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count10
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count5
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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