Structure Database (LMSD)

Common Name
Jawsamycin
Systematic Name
Synonyms
  • FR-900848
LM ID
LMPK01000062
Status
Active
Exact Mass
Calculate m/z
565.315187
Formula


Download as...
MDLMOL SDF CSV TSV
MDLMOL files can be opened in various drawing programs. In ChemDraw, open as filetype "MDL Molfile".

Main

Classification

String Representations

InChiKey (Click to copy)
QOOORVUXEUQEKV-KNLYTHMISA-N
InChi (Click to copy)
InChI=1S/C32H43N3O6/c1-16-10-17(16)6-7-19-12-21(19)23-14-25(23)24-13-22(24)20-11-18(20)4-2-3-5-27(36)33-15-26-29(38)30(39)31(41-26)35-9-8-28(37)34-32(35)40/h2-7,16-26,29-31,38-39H,8-15H2,1H3,(H,33,36)(H,34,37,40)/b4-2+,5-3+,7-6+/t16-,17-,18-,19-,20-,21-,22+,23+,24-,25-,26-,29-,30-,31-/m1/s1
SMILES (Click to copy)
N(C(=O)/C=C/C=C/[C@H]1[C@H]([C@H]2[C@H]([C@H]3[C@H]([C@H]4[C@H](/C=C/[C@H]5[C@H](C)C5)C4)C3)C2)C1)C[C@@H]1[C@@H](O)[C@@H](O)[C@H](N2CCC(=O)NC2=O)O1

References

Taxonomy Information

Curated from
NCBI taxonomy class
Reference
Streptomyces roseoverticillatus (#66429)
Actinomycetia (#1760)
Stereochemical Elucidation of the Pentacyclopropane Antifungal Agent FR-900848,
J Org Chem, 1996

Other Databases

CHEBI ID
PubChem CID

Calculated Physicochemical Properties

Heavy Atoms 41
Rings 7
Aromatic Rings
Rotatable Bonds 11
Van der Waals Molecular Volume 545.54
Topological Polar Surface Area 130.27
Hydrogen Bond Donors 4
Hydrogen Bond Acceptors 9
logP 4.08
Molar Refractivity 152.65

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Created at
5th Jul 2022
Updated at
5th Jul 2022