Structure Database (LMSD)

Common Name
Novaxenicin B
Systematic Name
Synonyms
LM ID
LMPR01040141
Status
Active
Exact Mass
Calculate m/z
366.20424
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)
CWQXZHGXSAZDMP-MHBSPTNUSA-N
InChi (Click to copy)
InChI=1S/C20H30O6/c1-10-7-15-17(25-15)20(4,23)6-5-11-12-8-14(16(21)19(2,3)22)26-18(12)24-9-13(10)11/h8,11,13-18,21-23H,1,5-7,9H2,2-4H3/t11-,13+,14-,15-,16?,17-,18+,20+/m1/s1
SMILES (Click to copy)
[C@@]12([H])C3=C[C@]([H])(C(O)C(C)(O)C)O[C@]3([H])OC[C@@]1([H])C(=C)C[C@H]1O[C@H]1[C@](O)(C)CC2

References

Taxonomy Information

Curated from
NCBI taxonomy class
Reference
Anthozoa (#6101)
Diterpenoids.,
Nat Prod Rep, 2007
Pubmed ID: 18033582

Other Databases

PubChem CID

Calculated Physicochemical Properties

Heavy Atoms 26
Rings 4
Aromatic Rings 0
Rotatable Bonds 2
Van der Waals Molecular Volume 352.58
Topological Polar Surface Area 95.82
Hydrogen Bond Donors 3
Hydrogen Bond Acceptors 6
logP 3.58
Molar Refractivity 98.33

Admin

Created at
11th May 2021
Updated at
11th May 2021