herbimycin A

Ligand id: 5984

Name: herbimycin A

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 11
Hydrogen bond donors 2
Rotatable bonds 6
Topological polar surface area 152.48
Molecular weight 574.29
XLogP 0.84
No. Lipinski's rules broken 1

Molecular properties generated using the CDK

Classification
Compound class Natural product or derivative
IUPAC Name
(9S,12S,14S,16S,17R)-8,13,14,17-tetramethoxy-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
Database Links
CAS Registry No. 70563-58-5
PubChem CID 16760502
Search Google for chemical match using the InChIKey MCAHMSDENAOJFZ-NDSMKMDISA-N
Search Google for chemicals with the same backbone MCAHMSDENAOJFZ
Comments
Herbimycin A is a Streptomyces-derived cell-permeable inhibitor of non-receptor tyrosine kinases [2,4,6].
As with other natural products, there is ambiguity in the precise stereochemisrty presented across web resources eg PubChem CID 6436247 shows an alternate structure.