Structure Database (LMSD)

Common Name
dammara-20,24-diene
Systematic Name
dammara-20,24-diene
Synonyms
LM ID
LMPR0106080022
Formula
C30H50
Exact Mass
Calculate m/z
410.39125
Status
Active
Show lipids differing only in stereochemistry/bond geometry

Classification

Category
Main Class
Sub Class
Level 4 Class
Prenol Lipids [PR]
Isoprenoids [PR01]
C30 isoprenoids (triterpenes) [PR0106]
Dammarane triterpenoids [PR010608]

Reactions

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ⓘ Reactions are shown if the E.C. number of the enzyme catalysing it is annotated in the UniProt database for a species belonging to the selected taxonomic class.
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Reactions graph legend

References

Taxonomy Information

Curated from
NCBI taxonomy class
Reference
Dryopteris crassirhizoma (#97234)
Polypodiopsida (#241806)
Dammaradiene synthase, a squalene cyclase, from Dryopteris crassirhizoma Nakai.,
Phytochemistry, 2008
Pubmed ID: 18790509

String Representations

InChiKey (Click to copy)
SEXOMBPXHYAKHY-YCJSVCQFSA-N
InChi (Click to copy)
InChI=1S/C30H50/c1-21(2)11-9-12-22(3)23-15-19-29(7)24(23)13-14-26-28(6)18-10-17-27(4,5)25(28)16-20-30(26,29)8/h11,23-26H,3,9-10,12-20H2,1-2,4-8H3/t23-,24-,25+,26-,28+,29-,30-/m1/s1
SMILES (Click to copy)
C1C[C@]2(C)[C@@]3([H])CC[C@]4([H])[C@@]([H])(C(=C)CC/C=C(\C)/C)CC[C@@]4(C)[C@]3(C)CC[C@@]2([H])C(C)(C)C1

Other Databases

CHEBI ID
62447
PubChem CID
15432633

Calculated Physicochemical Properties

Heavy Atoms 30
Rings 4
Aromatic Rings
Rotatable Bonds 4
Van der Waals Molecular Volume 472.84
Topological Polar Surface Area 0.00
Hydrogen Bond Donors
Hydrogen Bond Acceptors
logP 9.36
Molar Refractivity 131.42

Admin

Created at
15th Nov 2023
Updated at
15th Nov 2023