Products for Research Use Only
RegisterLogin

Cymbimicin B

CAT: 0804-HY-N14566Size: 1 EachDry Ice: NoHazardous: No
Product image 1
1 / 1
CAT#:0804-HY-N14566Size:1 Each
Selected
24/48H Stock Items & 2 to 6 Weeks non Stock Items.
Quick Request Actions
Description
Cymbimicin B is a cyclophilin-binding compound that binds to cyclophilin A.
CAS Number
200564-07-4
UNSPSC
12352005
Target
Others
Related Pathways
Others
Field of Research
Others
Smiles
CC1C(C2=CC=CC=C2)OC(C1NC(C(C(C)C)NC(C(C)C(OC)CC(O)/C(C)=C/CC3C(C(C(C(O3)/C=C/C=C/CC(OC)CC(/C=C/C(C)=C/C=C/C4C(C(O)(C(OC4)C)C)O)=O)C)O)CC)=O)=O)=O
Molecular Formula
C58H86N2O13
Molecular Weight
1019.31
References & Citations
[1]T Fehr, et al. Cymbimicin A and B, two novel cyclophilin-binding structures isolated from actinomycetes. J Antibiot (Tokyo) . 1997 Nov;50 (11) :893-9.
Shipping Conditions
Room temperature
Scientific Category
Natural Products
Clinical Information
No Development Reported

Chemical Information

Cymbimicin B

Cymbimicin B is a N-acyl-amino acid.

CAS Number200564-07-4
PubChem CID10724736
IUPAC Name(E)-8-[6-[(1E,3E,9E,11E,13E)-14-(4,5-dihydroxy-5,6-dimethyloxan-3-yl)-6-methoxy-11-methyl-8-oxotetradeca-1,3,9,11,13-pentaenyl]-3-ethyl-4-hydroxy-5-methyloxan-2-yl]-5-hydroxy-3-methoxy-2,6-dimethyl-N-[3-methyl-1-[(4-methyl-2-oxo-5-phenyloxolan-3-yl)amino]-1-oxobutan-2-yl]oct-6-enamide
Molecular FormulaC58H86N2O13
Molecular Weight1019.3
XLogP7.3
Topological Polar Surface Area219
Hydrogen Bond Donor Count6
Hydrogen Bond Acceptor Count13
Rotatable Bond Count25
Heavy Atom Count73
Formal Charge0
Complexity1970
SMILES
CCC1C(OC(C(C1O)C)/C=C/C=C/CC(CC(=O)/C=C/C(=C/C=C/C2COC(C(C2O)(C)O)C)/C)OC)C/C=C(\C)/C(CC(C(C)C(=O)NC(C(C)C)C(=O)NC3C(C(OC3=O)C4=CC=CC=C4)C)OC)O
InChI
InChI=1S/C58H86N2O13/c1-13-45-48(72-47(37(6)52(45)63)26-19-15-18-25-44(69-11)31-43(61)29-27-35(4)21-20-24-42-33-71-40(9)58(10,68)54(42)64)30-28-36(5)46(62)32-49(70-12)38(7)55(65)59-50(34(2)3)56(66)60-51-39(8)53(73-57(51)67)41-22-16-14-17-23-41/h14-24,26-29,34,37-40,42,44-54,62-64,68H,13,25,30-33H2,1-12H3,(H,59,65)(H,60,66)/b18-15+,24-20+,26-19+,29-27+,35-21+,36-28+
InChIKey
FSJKTPQBGQUBPN-VOJDNWENSA-N
Chemical Structure
2D Structure
2D structure of Cymbimicin B
CAS: 200564-07-4
CID: 10724736
Formula: C58H86N2O13
MW: 1019.3
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight1019.3
XLogP37.3
Hydrogen Bond Donor Count6
Hydrogen Bond Acceptor Count13
Rotatable Bond Count25
Exact Mass1018.61299080
Monoisotopic Mass1018.61299080
Topological Polar Surface Area219 Ų
Heavy Atom Count73
Formal Charge0
Complexity1970
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count17
Defined Bond Stereocenter Count6
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Related Products

CatalogName
HY-N14565Cymbimicin A
HY-N3303Meliasenin B
HY-P5705Gageotetrin B
HY-P11334Cyanostatin B
HY-P10134Salivaricin B
HY-N8886Galanganone B
HY-N8261-01Amicoumacin B
HY-N7213Leonoside B
HY-N6174Heronapyrrole B
HY-N16645Plasiaticine B

Alternative Products

CatalogName
GTR19256232-01Cymbimicin A
TN10355-01Cymbimicin B

Popular Products