Structure Database (LMSD)

Common Name
iso-Debromo-laurinterol
Systematic Name
Synonyms
LM ID
LMPR0103150001
Formula
C15H20O
Exact Mass
Calculate m/z
216.151415
Status
Active
Show lipids differing only in stereochemistry/bond geometry

Classification

Category
Main Class
Sub Class
Level 4 Class
Prenol Lipids [PR]
Isoprenoids [PR01]
C15 isoprenoids (sesquiterpenes) [PR0103]
Cyclolaurane sesquiterpenoids [PR010315]

References

Taxonomy Information

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

String Representations

InChiKey (Click to copy)
CVIXDDABZMVCMV-SNPRPXQTSA-N
InChi (Click to copy)
InChI=1S/C15H20O/c1-10-4-5-11(8-13(10)16)14(2)7-6-12-9-15(12,14)3/h4-5,8,12,16H,6-7,9H2,1-3H3/t12-,14+,15+/m1/s1
SMILES (Click to copy)
C1=C(C)C(O)=CC([C@]2(C)CC[C@@H]3C[C@]23C)=C1

Other Databases

PubChem CID
11390308

Calculated Physicochemical Properties

Heavy Atoms 16
Rings 3
Aromatic Rings 1
Rotatable Bonds 1
Van der Waals Molecular Volume 220.95
Topological Polar Surface Area 20.23
Hydrogen Bond Donors 1
Hydrogen Bond Acceptors 1
logP 3.78
Molar Refractivity 65.64

Admin

Created at
-
Updated at
23rd Jul 2021