Structure Database (LMSD)

Common Name
10-Hydroxy-isolaurene
Systematic Name
Synonyms
LM ID
LMPR0103170001
Status
Active
Exact Mass
Calculate m/z
216.151415
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)
AGMIVVAYCIYLIV-OAHLLOKOSA-N
InChi (Click to copy)
InChI=1S/C15H20O/c1-10-7-8-15(4,12(10)3)13-6-5-11(2)14(16)9-13/h5-6,9,16H,7-8H2,1-4H3/t15-/m1/s1
SMILES (Click to copy)
C1(O)=C(C)C=CC([C@]2(C)CCC(C)=C2C)=C1

References

Reference
Fraga, B. M. Natural sesquiterpenoids. Nat. Prod. Rep., 2006, 23, 943-972.

Taxonomy Information

Curated from
NCBI taxonomy class
Reference
Laurencia okamurae (#2510711)
Florideophyceae (#2806)
Natural sesquiterpenoids.,
Nat Prod Rep, 2006
Pubmed ID: 17119641

Other Databases

PubChem CID

Calculated Physicochemical Properties

Heavy Atoms 16
Rings 2
Aromatic Rings 1
Rotatable Bonds 1
Van der Waals Molecular Volume 230.67
Topological Polar Surface Area 20.23
Hydrogen Bond Donors 1
Hydrogen Bond Acceptors 1
logP 4.09
Molar Refractivity 67.80

Admin

Created at
-
Updated at
23rd Jul 2021