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Amicenomycin B

CAT: 0804-HY-N14801Size: 1 EachDry Ice: NoHazardous: No
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Description
Amicenomycin B is active against Gram-pos. bacteria[1].
CAS Number
172960-98-4
UNSPSC
12352211
Target
Bacterial
Related Pathways
Anti-infection
Applications
COVID-19-immunoregulation
Field of Research
Infection
Smiles
O[C@@H]1C[C@@H](O[C@@H]([C@@H]1O)C)C2=CC=C(C(C3=C(O)C(C[C@@](CC(O)=O)(C)O[C@@H]4CC[C@H](O[C@H]5CC[C@@H](O[C@@H]6CC[C@@H](O)[C@H](C)O6)[C@H](C)O5)[C@H](C)O4)=CC=C37)=O)C(C7=O)=C2O
Molecular Formula
C43H56O16
Molecular Weight
828.90
References & Citations
[1]N Kawamura, et al. Amicenomycins A and B, new antibiotics from Streptomyces sp. MJ384-46F6. J Antibiot (Tokyo) . 1995 Dec;48 (12) :1521-4.
Shipping Conditions
Room temperature
Scientific Category
Natural Products
Clinical Information
No Development Reported

Chemical Information

Amicenomycin B

Amicenomycin B is an anthraquinone.

CAS Number172960-98-4
PubChem CID85150290
IUPAC Name4-[6-(4,5-dihydroxy-6-methyloxan-2-yl)-1,5-dihydroxy-9,10-dioxoanthracen-2-yl]-3-[5-[5-(5-hydroxy-6-methyloxan-2-yl)oxy-6-methyloxan-2-yl]oxy-6-methyloxan-2-yl]oxy-3-methylbutanoic acid
Molecular FormulaC43H56O16
Molecular Weight828.9
XLogP4.2
Topological Polar Surface Area237
Hydrogen Bond Donor Count6
Hydrogen Bond Acceptor Count16
Rotatable Bond Count11
Heavy Atom Count59
Formal Charge0
Complexity1480
SMILES
CC1C(CCC(O1)OC2CCC(OC2C)OC3CCC(OC3C)OC(C)(CC4=C(C5=C(C=C4)C(=O)C6=C(C5=O)C=CC(=C6O)C7CC(C(C(O7)C)O)O)O)CC(=O)O)O
InChI
InChI=1S/C43H56O16/c1-19-27(44)10-13-33(54-19)57-29-11-14-34(55-20(29)2)58-30-12-15-35(56-21(30)3)59-43(5,18-32(46)47)17-23-6-7-25-36(39(23)49)41(51)26-9-8-24(40(50)37(26)42(25)52)31-16-28(45)38(48)22(4)53-31/h6-9,19-22,27-31,33-35,38,44-45,48-50H,10-18H2,1-5H3,(H,46,47)
InChIKey
HBKJFRPYXFXSQO-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Amicenomycin B
CAS: 172960-98-4
CID: 85150290
Formula: C43H56O16
MW: 828.9
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight828.9
XLogP34.2
Hydrogen Bond Donor Count6
Hydrogen Bond Acceptor Count16
Rotatable Bond Count11
Exact Mass828.35683569
Monoisotopic Mass828.35683569
Topological Polar Surface Area237 Ų
Heavy Atom Count59
Formal Charge0
Complexity1480
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count14
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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