Structure Database (LMSD)
Common Name
8-hydroxy invictolide 2
Systematic Name
8-hydroxy-2R,4R,6-trimethyl-nona-5S-olide
Synonyms
- 6-(4-hydroxypentan-2-yl)-3,5-dimethyltetrahydro-2H-pyran-2-one
3D model of 8-hydroxy invictolide 2
Please note: Where there are chiral atoms but the stereochemistry is undefined, the 3D model takes an arbitrary conformation
Classification
References
Taxonomy Information
Curated from
NCBI taxonomy class
Reference
unclassified Streptomyces
(#2593676)
Actinomycetes
(#1760)
A new δ-valerolactone produced by marine Streptomyces sp. YIM 13591.,
Nat Prod Res, 2022
Nat Prod Res, 2022
Pubmed ID:
35142588
String Representations
InChiKey (Click to copy)
JMHYHDNUCNIVPD-RVHRAGPCSA-N
InChi (Click to copy)
InChI=1S/C12H22O3/c1-7-5-9(3)12(14)15-11(7)8(2)6-10(4)13/h7-11,13H,5-6H2,1-4H3/t7-,8?,9-,10?,11+/m1/s1
SMILES (Click to copy)
O1[C@]([H])(C(C)CC(O)C)[C@H](C)C[C@@H](C)C1=O
Other Databases
PubChem CID
Calculated Physicochemical Properties
Heavy Atoms
15
Rings
1
Aromatic Rings
0
Rotatable Bonds
3
Van der Waals Molecular Volume
227.53
Topological Polar Surface Area
48.60
Hydrogen Bond Donors
1
Hydrogen Bond Acceptors
3
logP
2.55
Molar Refractivity
59.31
Admin
Created at
18th Mar 2022
Updated at
18th Mar 2022