Structure Database (LMSD)

Common Name
Novaxenicin C
Systematic Name
Synonyms
LM ID
LMPR01040142
Status
Active
Exact Mass
Calculate m/z
382.199155
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)
MQIRKBSTEITVIF-APHMRBDOSA-N
InChi (Click to copy)
InChI=1S/C20H30O7/c1-10-7-15-17(26-15)20(4,25)6-5-11(13(10)9-21)12-8-14(27-18(12)23)16(22)19(2,3)24/h8,11,13-17,21-22,24-25H,1,5-7,9H2,2-4H3/t11-,13+,14-,15-,16?,17-,20+/m1/s1
SMILES (Click to copy)
[C@@]1([H])(C2=C[C@]([H])(C(O)C(C)(O)C)OC2=O)CC[C@@](O)(C)[C@@H]2O[C@@H]2CC(=C)[C@]1([H])CO

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 27
Rings 3
Aromatic Rings 0
Rotatable Bonds 4
Van der Waals Molecular Volume 371.09
Topological Polar Surface Area 121.82
Hydrogen Bond Donors 4
Hydrogen Bond Acceptors 7
logP 2.46
Molar Refractivity 100.17

Admin

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