LIPID MAPS

Structure Database (LMSD)

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Common Name

Laurencenone C

Systematic Name

2,7-chamigradien-9-one

Synonyms

LM ID

LMPR0103670005

Formula

C₁₅H₂₂O

Exact Mass

Calculate m/z

218.167065

Status

Active

Show lipids differing only in stereochemistry/bond geometry

Classification

References

Taxonomy Information

Curated from

NCBI taxonomy class

Reference

Laurencia obtusa (#137763)

Florideophyceae (#2806)

Chamigrane metabolites from Laurencia obtusa and L. scoparia,
Phytochemistry, 1988

DOI: 10.1016/0031-9422(88)80439-4

String Representations

InChiKey (Click to copy)

SNJATGMAHZJTNR-OAHLLOKOSA-N

InChi (Click to copy)

InChI=1S/C15H22O/c1-11-5-7-15(8-6-11)12(2)9-13(16)10-14(15,3)4/h5,9H,6-8,10H2,1-4H3/t15-/m1/s1

SMILES (Click to copy)

C1C(=O)CC(C)(C)[C@]2(CCC(C)=CC2)C=1C

Other Databases

PubChem CID

14108777

Calculated Physicochemical Properties

Heavy Atoms 16

Rings 2

Aromatic Rings

Rotatable Bonds

Van der Waals Molecular Volume 244.21

Topological Polar Surface Area 17.07

Hydrogen Bond Donors

Hydrogen Bond Acceptors 1

logP 4.05

Molar Refractivity 67.20

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Created at

13th Dec 2023

Updated at