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Herbimycin B

CAT: 0013-GTR19255759-01Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19255759-01Size:50 mg
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Description
Herbimycin B, an ansamycin antibiotic, functions as an inhibitor of Src family kinases. It exhibits herbicidal effects on most monocotyledonous and dicotyledonous plants and can inhibit the activity of tobacco mosaic virus (TMV), HeLa cells, and Ehrlich cells.
CAS Number
76207-83-5
Field of Research
Cardiovascular Research, Infectious Disease & Virology, Signal Transduction
Smiles
C[C@H]1C[C@@H] ([C@@H] ([C@H] (/C=C (/[C@@H] ([C@H] (/C=C\C=C (\C (=O) NC2=CC (=O) C=C (C1) C2=O) /C) OC) OC (=O) N) \C) C) C) OC
Molecular Formula
C29H40N2O7
Molecular Weight
528.637
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Herbimycin B

Herbimycin B is a keratan 6'-sulfate and an azamacrocycle.

CAS Number76207-83-5
PubChem CID10007186
IUPAC Name[(4E,6Z,8S,9S,10E,12S,13R,14S,16R)-13-hydroxy-8,14-dimethoxy-4,10,12,16-tetramethyl-3,20,22-trioxo-2-azabicyclo[16.3.1]docosa-1(21),4,6,10,18-pentaen-9-yl] carbamate
Molecular FormulaC28H38N2O8
Molecular Weight530.6
XLogP1.8
Topological Polar Surface Area154
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count8
Rotatable Bond Count4
Heavy Atom Count38
Formal Charge0
Complexity1080
SMILES
C[C@H]1C[C@@H]([C@@H]([C@H](/C=C(/[C@@H]([C@H](/C=C\C=C(\C(=O)NC2=CC(=O)C=C(C1)C2=O)/C)OC)OC(=O)N)\C)C)O)OC
InChI
InChI=1S/C28H38N2O8/c1-15-10-19-13-20(31)14-21(25(19)33)30-27(34)16(2)8-7-9-22(36-5)26(38-28(29)35)18(4)12-17(3)24(32)23(11-15)37-6/h7-9,12-15,17,22-24,26,32H,10-11H2,1-6H3,(H2,29,35)(H,30,34)/b9-7-,16-8+,18-12+/t15-,17+,22+,23+,24-,26+/m1/s1
InChIKey
ZRACUXWBSYZVLW-LCXCNHHZSA-N
Chemical Structure
2D Structure
2D structure of Herbimycin B
CAS: 76207-83-5
CID: 10007186
Formula: C28H38N2O8
MW: 530.6
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight530.6
XLogP31.8
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count8
Rotatable Bond Count4
Exact Mass530.26281617
Monoisotopic Mass530.26281617
Topological Polar Surface Area154 Ų
Heavy Atom Count38
Formal Charge0
Complexity1080
Isotope Atom Count0
Defined Atom Stereocenter Count6
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count3
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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