LIPID MAPS

Structure Database (LMSD)

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Common Name

selina-4(14),11-dien-7-ol

Systematic Name

Synonyms

LM ID

LMPR0103190017

Formula

C₁₅H₂₄O₂

Exact Mass

Calculate m/z

236.17763

Status

Active

Show lipids differing only in stereochemistry/bond geometry

Classification

References

Taxonomy Information

Curated from

NCBI taxonomy class

Reference

Atractylodes macrocephala (#265785)

Magnoliopsida (#3398)

Two new sesquiterpenes from the rhizomes of Atractylodes macrocephala and their biological activities.,
Nat Prod Res, 2021

Pubmed ID: 33401972

String Representations

InChiKey (Click to copy)

HXYPZVCIEXGKAX-LJISPDSOSA-N

InChi (Click to copy)

InChI=1S/C15H24O2/c1-10(2)15(17)8-12-11(3)6-5-7-14(12,4)13(16)9-15/h12-13,16-17H,1,3,5-9H2,2,4H3/t12-,13+,14-,15+/m0/s1

SMILES (Click to copy)

[C@]1(O)(C[C@]2(C(CCC[C@@]2([C@H](O)C1)C)=C)[H])C(=C)C

Other Databases

PubChem CID

171121098

Calculated Physicochemical Properties

Heavy Atoms 17

Rings 2

Aromatic Rings 0

Rotatable Bonds 1

Van der Waals Molecular Volume 255.64

Topological Polar Surface Area 40.46

Hydrogen Bond Donors 2

Hydrogen Bond Acceptors 2

logP 3.38

Molar Refractivity 70.62

Admin

Created at

8th Jan 2021

Updated at