Structure Database (LMSD)

H H H H
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

Main

Classification

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

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

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

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

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

Admin

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