Structure Database (LMSD)

H H
Common Name
amorpha-4,11-diene
Systematic Name
(1R,4R,4aS,8aR)-4,7-dimethyl-1-(prop-1-en-2-yl)-1,2,3,4,4a,5,6,8a-octahydronaphthalene
Synonyms
LM ID
LMPR0103330005
Formula
C15H24
Exact Mass
Calculate m/z
204.1878
Status
Active
Show lipids differing only in stereochemistry/bond geometry

Main

Classification

Category
Main Class
Sub Class
Level 4 Class
Prenol Lipids [PR]
Isoprenoids [PR01]
C15 isoprenoids (sesquiterpenes) [PR0103]
Cadinane sesquiterpenoids [PR010333]

String Representations

InChiKey (Click to copy)
HMTAHNDPLDKYJT-CBBWQLFWSA-N
InChi (Click to copy)
InChI=1S/C15H24/c1-10(2)13-8-6-12(4)14-7-5-11(3)9-15(13)14/h9,12-15H,1,5-8H2,2-4H3/t12-,13+,14+,15-/m1/s1
SMILES (Click to copy)
[C@H]1(C(=C)C)[C@]2([H])[C@@]([H])(CCC(C)=C2)[C@H](C)CC1

References

Other Databases

Wikipedia
amorpha-4,11-diene
KEGG ID
C16028
CHEBI ID
52026
PubChem CID
11052747
PDB ID
SJA

Calculated Physicochemical Properties

Heavy Atoms 15
Rings 2
Aromatic Rings 0
Rotatable Bonds 1
Van der Waals Molecular Volume 238.06
Topological Polar Surface Area 0.00
Hydrogen Bond Donors 0
Hydrogen Bond Acceptors 0
logP 4.58
Molar Refractivity 66.67

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Created at
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Updated at
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