Structure Database (LMSD)

Common Name
Glutinol
Systematic Name
Synonyms
  • epi-Alnusenol
  • glutin-5-en-3beta-ol
LM ID
LMPR0106160004
Formula
C30H50O
Exact Mass
Calculate m/z
426.386165
Status
Curated
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]
Taraxerane, multiflorane, glutinane and friedelane triterpenoids [PR010616]

References

Taxonomy Information

Curated from
NCBI taxonomy class
Reference
Garcinia kola (#469930)
Magnoliopsida (#3398)
Garcinoic Acids and a Benzophenone Derivative from the Seeds of Garcinia kola and Their Antibacterial Activities against Oral Bacterial Pathogenic Organisms.,
J Nat Prod, 2020
Pubmed ID: 32644811

String Representations

InChiKey (Click to copy)
HFSACQSILLSUII-YEPLBTPASA-N
InChi (Click to copy)
InChI=1S/C30H50O/c1-25(2)13-14-27(5)15-17-29(7)22-11-9-20-21(10-12-24(31)26(20,3)4)28(22,6)16-18-30(29,8)23(27)19-25/h9,21-24,31H,10-19H2,1-8H3/t21?,22?,23?,24-,27+,28-,29+,30-/m0/s1
SMILES (Click to copy)
CC1(C)CC2[C@@](C)(CC[C@@]3(C)[C@@]2(C)CC[C@]2(C)C3CC=C3C(C)(C)[C@@H](O)CCC32)CC1

Other Databases

CHEBI ID
63462
PubChem CID
9932254

Calculated Physicochemical Properties

Heavy Atoms 31
Rings 5
Aromatic Rings 0
Rotatable Bonds 0
Van der Waals Molecular Volume 471.91
Topological Polar Surface Area 20.23
Hydrogen Bond Donors 1
Hydrogen Bond Acceptors 1
logP 8.46
Molar Refractivity 131.23

Admin

Created at
10th Jul 2020
Updated at
10th Jul 2020