Structure Database (LMSD)

Common Name
(-)-Sesquicarene
Systematic Name
Synonyms
LM ID
LMPR0103070001
Formula
C15H24
Exact Mass
Calculate m/z
204.1878
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]
Cyclobisabolane sesquiterpenoids [PR010307]

String Representations

InChiKey (Click to copy)
MZOWOHKNFKJFFD-RRFJBIMHSA-N
InChi (Click to copy)
InChI=1S/C15H24/c1-11(2)6-5-9-15(4)13-8-7-12(3)10-14(13)15/h6,10,13-14H,5,7-9H2,1-4H3/t13-,14+,15+/m0/s1
SMILES (Click to copy)
C1C[C@]2([H])[C@@](C)(CC/C=C(\C)/C)[C@]2([H])C=C1C

Other Databases

KEGG ID
C17065
CHEBI ID
80901
PubChem CID
11074502

Calculated Physicochemical Properties

Heavy Atoms 15
Rings 2
Aromatic Rings 0
Rotatable Bonds 3
Van der Waals Molecular Volume 238.06
Topological Polar Surface Area 0.00
Hydrogen Bond Donors 0
Hydrogen Bond Acceptors 0
logP 4.73
Molar Refractivity 66.74

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Created at
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Updated at
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