Structure Database (LMSD)

Common Name
(-)-Kanshone A
Systematic Name
Synonyms
LM ID
LMPR0103280001
Formula
C15H24O2
Exact Mass
Calculate m/z
236.17763
Status
Curated
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]
Nardosinane sesquiterpenoids [PR010328]

String Representations

InChiKey (Click to copy)
LVUPOAWDACSHHD-DGFSRKRXSA-N
InChi (Click to copy)
InChI=1S/C15H24O2/c1-10-6-5-7-11-12(16)8-9-13(14(2,3)17)15(10,11)4/h7,10,13,17H,5-6,8-9H2,1-4H3/t10-,13+,15+/m1/s1
SMILES (Click to copy)
C1C=C2C(=O)CC[C@@H](C(O)(C)C)[C@@]2(C)[C@H](C)C1

Other Databases

CHEBI ID
196008
PubChem CID
15694585

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 37.30
Hydrogen Bond Donors 1
Hydrogen Bond Acceptors 2
logP 3.39
Molar Refractivity 69.13

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Created at
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Updated at
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